Viewing Compound With Structures

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Compound Report Overview

Compound Name: ALLOBARBITAL
Compound Identifier: 701115
Mol Structure 2D: 701115
Molecular Weight: 208
Formula: C10 H12 N2 O3
Development Status: Preclinical
SMILES: C=CCC1(CC=C)C(=O)NC(=O)NC1=O
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222282D 0 0.00000 0.00000 0^^ 15 15 0 0 0 999 V2000^ -2.0625 0.0750 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.7708 -2.1500 0.0000 N 0 0 0 0 0 0 0 0 0^ 0.5167 0.0958 0.0000 C 0 0 3 0 0 0 0 0 0^ -0.7708 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.5167 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.0625 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.8417 -2.1875 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.7708 2.3208 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.3875 -2.1125 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.7375 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.0250 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.3042 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.5375 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.6542 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.6375 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 6 1 0 0 0^ 3 4 1 0 0 0^ 4 1 1 0 0 0^ 5 2 1 0 0 0^ 6 1 1 0 0 0^ 7 5 2 0 0 0^ 8 4 2 0 0 0^ 9 6 2 0 0 0^ 10 12 1 0 0 0^ 11 13 1 0 0 0^ 12 3 1 0 0 0^ 13 3 1 0 0 0^ 14 11 2 0 0 0^ 15 10 2 0 0 0^ 5 3 1 0 0 0^M END^^
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