4-[(7-chloranyl-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)oxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(7-chloranyl-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)oxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)oxy]-4-oxo-butanoic acid CAS Name: 4-[(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)oxy]-4-oxobutanoic acid IUPAC Name: 4-[(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)oxy]-4-oxobutanoic acid Traditional Name: 4-[(7-chloro-2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)oxy]-4-keto-butyric acid Formula: C20H17ClN2O5 MolecularWeight: 400.81238

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)OC(=O)CCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)OC(=O)CCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C20H17ClN2O5/c1-23-15-8-7-13(21)11-14(15)18(12-5-3-2-4-6-12)22-19(20(23)27)28-17(26)10-9-16(24)25/h2-8,11,19H,9-10H2,1H3,(H,24,25)