Viewing Compound With Structures

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Compound Report Overview

Compound Name: NIFURTOINOL
Compound Identifier: 704902
Mol Structure 2D: 704902
Molecular Weight: 268
Formula: C9 H8 N4 O6
Development Status: Preclinical
SMILES: OCN1C(=O)CN(N=Cc2ccc(o2)[N+](=O)[O-])C1=O
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222322D 0 0.00000 0.00000 0^^ 19 20 0 0 0 999 V2000^ 2.9792 0.2083 0.0000 N 0 0 3 0 0 0 0 0 0^ 2.0042 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.6917 1.1208 0.0000 N 0 0 3 0 0 0 0 0 0^ 3.2917 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.4333 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.3583 0.2833 0.0000 N 0 3 0 0 0 0 0 0 0^ 2.4917 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.7625 1.3333 0.0000 N 0 0 0 0 0 0 0 0 0^ -1.6000 0.1708 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.2208 1.6250 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8583 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.0917 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2583 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.4875 -0.7000 0.0000 O 0 5 0 0 0 0 0 0 0^ 1.4042 -0.5917 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.5500 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.1583 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.2375 1.3458 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.1542 -1.4667 0.0000 O 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 2 1 0 0 0^ 4 1 1 0 0 0^ 5 9 1 0 0 0^ 6 5 1 0 0 0^ 7 4 1 0 0 0^ 8 3 1 0 0 0^ 9 11 1 0 0 0^ 10 13 1 0 0 0^ 11 12 1 0 0 0^ 12 8 2 0 0 0^ 13 11 2 0 0 0^ 14 6 1 0 0 0^ 15 2 2 0 0 0^ 16 1 1 0 0 0^ 17 6 2 0 0 0^ 18 4 2 0 0 0^ 19 16 1 0 0 0^ 7 3 1 0 0 0^ 10 5 2 0 0 0^M CHG 2 6 1 14 -1^M END^^
Structure View
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