[2-(4-chlorophenyl)-6,7-dimethyl-4-oxidanylidene-chromen-3-yl] 4-(4-methylpiperazin-1-yl)-3-nitro-benzoate

Systemtic Name: [2-(4-chlorophenyl)-6,7-dimethyl-4-oxidanylidene-chromen-3-yl] 4-(4-methylpiperazin-1-yl)-3-nitro-benzoate Openeye Name: [2-(4-chlorophenyl)-6,7-dimethyl-4-oxo-chromen-3-yl] 4-(4-methylpiperazin-1-yl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperazinyl)-3-nitrobenzoic acid [2-(4-chlorophenyl)-6,7-dimethyl-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(4-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl] 4-(4-methylpiperazin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperazino)-3-nitro-benzoic acid [2-(4-chlorophenyl)-4-keto-6,7-dimethyl-chromen-3-yl] ester Formula: C29H26ClN3O6 MolecularWeight: 547.98624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)Cl)OC(=O)C4=CC(=C(C=C4)N5CCN(CC5)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)Cl)OC(=O)C4=CC(=C(C=C4)N5CCN(CC5)C)[N+](=O)[O-])C

InChI

InChI=1S/C29H26ClN3O6/c1-17-14-22-25(15-18(17)2)38-27(19-4-7-21(30)8-5-19)28(26(22)34)39-29(35)20-6-9-23(24(16-20)33(36)37)32-12-10-31(3)11-13-32/h4-9,14-16H,10-13H2,1-3H3