2-(7-chloranyl-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)butanedioic acid

Systemtic Name: 2-(7-chloranyl-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)butanedioic acid Openeye Name: 2-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)butanedioic acid CAS Name: 2-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)butanedioic acid IUPAC Name: 2-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)butanedioic acid Traditional Name: 2-(7-chloro-2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)succinic 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)C(CC(=O)O)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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