dimethyl 2-(6-methoxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)propanedioate

Systemtic Name: dimethyl 2-(6-methoxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)propanedioate Openeye Name: dimethyl 2-(6-methoxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)propanedioate CAS Name: 2-(6-methoxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(6-methoxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)propanedioate Traditional Name: 2-(6-methoxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)malonic acid dimethyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=NCC(=C(C(=O)OC)C(=O)OC)N2)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC2=C1C(=NCC(=C(C(=O)OC)C(=O)OC)N2)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O5/c1-26-16-11-7-10-14-17(16)19(13-8-5-4-6-9-13)22-12-15(23-14)18(20(24)27-2)21(25)28-3/h4-11,23H,12H2,1-3H3