2-[1-butyl-7-chloranyl-2-oxidanylidene-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-3-yl]ethanoic acid

Systemtic Name: 2-[1-butyl-7-chloranyl-2-oxidanylidene-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-3-yl]ethanoic acid Openeye Name: 2-[1-butyl-7-chloro-2-oxo-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-3-yl]acetic acid CAS Name: 2-[1-butyl-7-chloro-2-oxo-5-(4-oxo-1-cyclohexa-2,5-dienylidene)-3,4-dihydro-1,4-benzodiazepin-3-yl]acetic acid IUPAC Name: 2-[1-butyl-7-chloro-2-oxo-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-3-yl]acetic acid Traditional Name: 2-[1-butyl-7-chloro-2-keto-5-(4-ketocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-3-yl]acetic acid Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)Cl)C(=C3C=CC(=O)C=C3)NC(C1=O)CC(=O)O

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)Cl)C(=C3C=CC(=O)C=C3)NC(C1=O)CC(=O)O

InChI

InChI=1S/C21H21ClN2O4/c1-2-3-10-24-18-9-6-14(22)11-16(18)20(13-4-7-15(25)8-5-13)23-17(21(24)28)12-19(26)27/h4-9,11,17,23H,2-3,10,12H2,1H3,(H,26,27)