dimethyl 2-(7-chloranyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)propanedioate

Systemtic Name: dimethyl 2-(7-chloranyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)propanedioate Openeye Name: dimethyl 2-(7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)propanedioate CAS Name: 2-(7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)propanedioate Traditional Name: 2-(7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)malonic acid dimethyl ester Formula: C20H17ClN2O4 MolecularWeight: 384.81298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C1CN=C(C2=C(N1)C=CC(=C2)Cl)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C(=C1CN=C(C2=C(N1)C=CC(=C2)Cl)C3=CC=CC=C3)C(=O)OC

InChI

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