2-(3-azanyl-6-oxidanylidene-11-propyl-benzo[b][1,4]benzodiazepin-5-yl)ethanoic acid

Systemtic Name: 2-(3-azanyl-6-oxidanylidene-11-propyl-benzo[b][1,4]benzodiazepin-5-yl)ethanoic acid Openeye Name: 2-(3-amino-6-oxo-11-propyl-benzo[b][1,4]benzodiazepin-5-yl)acetic acid CAS Name: 2-(3-amino-6-oxo-11-propyl-5-benzo[b][1,4]benzodiazepinyl)acetic acid IUPAC Name: 2-(3-amino-6-oxo-11-propylbenzo[b][1,4]benzodiazepin-5-yl)acetic acid Traditional Name: 2-(3-amino-6-keto-11-propyl-benzo[b][1,4]benzodiazepin-5-yl)acetic acid Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)N)N(C(=O)C3=CC=CC=C31)CC(=O)O

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)N)N(C(=O)C3=CC=CC=C31)CC(=O)O

InChI

InChI=1S/C18H19N3O3/c1-2-9-20-14-6-4-3-5-13(14)18(24)21(11-17(22)23)16-10-12(19)7-8-15(16)20/h3-8,10H,2,9,11,19H2,1H3,(H,22,23)