methyl 2-[7-chloranyl-2,4-bis(oxidanylidene)-5-phenyl-1,5-benzodiazepin-1-yl]but-3-enoate

Systemtic Name: methyl 2-[7-chloranyl-2,4-bis(oxidanylidene)-5-phenyl-1,5-benzodiazepin-1-yl]but-3-enoate Openeye Name: methyl 2-(7-chloro-2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl)but-3-enoate CAS Name: 2-(7-chloro-2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl)-3-butenoic acid methyl ester IUPAC Name: methyl 2-(7-chloro-2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl)but-3-enoate Traditional Name: 2-(7-chloro-2,4-diketo-5-phenyl-1,5-benzodiazepin-1-yl)but-3-enoic acid methyl ester Formula: C20H17ClN2O4 MolecularWeight: 384.81298

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C=C)N1C(=O)CC(=O)N(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(C=C)N1C(=O)CC(=O)N(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H17ClN2O4/c1-3-15(20(26)27-2)23-16-10-9-13(21)11-17(16)22(18(24)12-19(23)25)14-7-5-4-6-8-14/h3-11,15H,1,12H2,2H3