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

Systemtic Name: [2,2,4-trimethyl-1-(2-nitrophenyl)carbonyl-quinolin-6-yl] 2-nitrobenzoate Openeye Name: [2,2,4-trimethyl-1-(2-nitrobenzoyl)-6-quinolyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2,2,4-trimethyl-1-[(2-nitrophenyl)-oxomethyl]-6-quinolinyl] ester IUPAC Name: [2,2,4-trimethyl-1-(2-nitrobenzoyl)quinolin-6-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2,2,4-trimethyl-1-(2-nitrobenzoyl)-6-quinolyl] ester Formula: C26H21N3O7 MolecularWeight: 487.46084

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=CC=C4[N+](=O)[O-])(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=CC=C4[N+](=O)[O-])(C)C

InChI

InChI=1S/C26H21N3O7/c1-16-15-26(2,3)27(24(30)18-8-4-6-10-22(18)28(32)33)21-13-12-17(14-20(16)21)36-25(31)19-9-5-7-11-23(19)29(34)35/h4-15H,1-3H3