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

Systemtic Name: 2-(7-chloranyl-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)ethanoic acid Openeye Name: 2-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetic acid CAS Name: 2-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetic acid IUPAC Name: 2-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetic acid Traditional Name: 2-(7-chloro-2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetic acid Formula: C18H15ClN2O3 MolecularWeight: 342.7763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN2O3/c1-21-15-8-7-12(19)9-13(15)17(11-5-3-2-4-6-11)20-14(18(21)24)10-16(22)23/h2-9,14H,10H2,1H3,(H,22,23)