sodium 2-[(6-oxidanylidene-5H-benzo[b][1,4]benzodiazepin-11-yl)carbonyl]hexanoate

Systemtic Name: sodium 2-[(6-oxidanylidene-5H-benzo[b][1,4]benzodiazepin-11-yl)carbonyl]hexanoate Openeye Name: sodium 2-(6-oxo-5H-benzo[b][1,4]benzodiazepine-11-carbonyl)hexanoate CAS Name: sodium 2-[oxo-(6-oxo-5H-benzo[b][1,4]benzodiazepin-11-yl)methyl]hexanoate IUPAC Name: sodium 2-(6-oxo-5H-benzo[b][1,4]benzodiazepine-11-carbonyl)hexanoate Traditional Name: sodium 2-(6-keto-5H-benzo[b][1,4]benzodiazepine-11-carbonyl)hexanoate Formula: C20H19N2NaO4 MolecularWeight: 374.36563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N1C2=CC=CC=C2C(=O)NC3=CC=CC=C31)C(=O)[O-].[Na+]

Isomeric SMILES

CCCCC(C(=O)N1C2=CC=CC=C2C(=O)NC3=CC=CC=C31)C(=O)[O-].[Na+]

InChI

InChI=1S/C20H20N2O4.Na/c1-2-3-8-14(20(25)26)19(24)22-16-11-6-4-9-13(16)18(23)21-15-10-5-7-12-17(15)22;/h4-7,9-12,14H,2-3,8H2,1H3,(H,21,23)(H,25,26);/q;+1/p-1