4-azanylbutanoic acid; 1H-1,2-benzodiazepine

Systemtic Name: 4-azanylbutanoic acid; 1H-1,2-benzodiazepine Openeye Name: 4-aminobutanoic acid; 1H-1,2-benzodiazepine CAS Name: 4-aminobutanoic acid; 1H-1,2-benzodiazepine IUPAC Name: 4-aminobutanoic acid; 1H-1,2-benzodiazepine Traditional Name: 4-aminobutyric acid; 1H-1,2-benzodiazepine Formula: C13H17N3O2 MolecularWeight: 247.29298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=NN2.C(CC(=O)O)CN

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=NN2.C(CC(=O)O)CN

InChI

InChI=1S/C9H8N2.C4H9NO2/c1-2-6-9-8(4-1)5-3-7-10-11-9;5-3-1-2-4(6)7/h1-7,11H;1-3,5H2,(H,6,7)