[1-(4-chlorophenyl)carbonyl-2,2,4-trimethyl-quinolin-6-yl] 3-nitrobenzoate

Systemtic Name: [1-(4-chlorophenyl)carbonyl-2,2,4-trimethyl-quinolin-6-yl] 3-nitrobenzoate Openeye Name: [1-(4-chlorobenzoyl)-2,2,4-trimethyl-6-quinolyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [1-[(4-chlorophenyl)-oxomethyl]-2,2,4-trimethyl-6-quinolinyl] ester IUPAC Name: [1-(4-chlorobenzoyl)-2,2,4-trimethylquinolin-6-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [1-(4-chlorobenzoyl)-2,2,4-trimethyl-6-quinolyl] ester Formula: C26H21ClN2O5 MolecularWeight: 476.90834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(C2=C1C=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)Cl)(C)C

Isomeric SMILES

CC1=CC(N(C2=C1C=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)Cl)(C)C

InChI

InChI=1S/C26H21ClN2O5/c1-16-15-26(2,3)28(24(30)17-7-9-19(27)10-8-17)23-12-11-21(14-22(16)23)34-25(31)18-5-4-6-20(13-18)29(32)33/h4-15H,1-3H3