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

Systemtic Name: 2-[7-chloranyl-1-ethyl-2-oxidanylidene-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-3-yl]ethanoic acid Openeye Name: 2-[7-chloro-1-ethyl-2-oxo-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-3-yl]acetic acid CAS Name: 2-[7-chloro-1-ethyl-2-oxo-5-(4-oxo-1-cyclohexa-2,5-dienylidene)-3,4-dihydro-1,4-benzodiazepin-3-yl]acetic acid IUPAC Name: 2-[7-chloro-1-ethyl-2-oxo-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-3-yl]acetic acid Traditional Name: 2-[7-chloro-1-ethyl-2-keto-5-(4-ketocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-3-yl]acetic acid Formula: C19H17ClN2O4 MolecularWeight: 372.80228

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)Cl)C(=C3C=CC(=O)C=C3)NC(C1=O)CC(=O)O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)Cl)C(=C3C=CC(=O)C=C3)NC(C1=O)CC(=O)O

InChI

InChI=1S/C19H17ClN2O4/c1-2-22-16-8-5-12(20)9-14(16)18(11-3-6-13(23)7-4-11)21-15(19(22)26)10-17(24)25/h3-9,15,21H,2,10H2,1H3,(H,24,25)