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

Systemtic Name: [2,2,4-trimethyl-1-(3-nitrophenyl)carbonyl-quinolin-6-yl] 3-nitrobenzoate Openeye Name: [2,2,4-trimethyl-1-(3-nitrobenzoyl)-6-quinolyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2,2,4-trimethyl-1-[(3-nitrophenyl)-oxomethyl]-6-quinolinyl] ester IUPAC Name: [2,2,4-trimethyl-1-(3-nitrobenzoyl)quinolin-6-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2,2,4-trimethyl-1-(3-nitrobenzoyl)-6-quinolyl] ester Formula: C26H21N3O7 MolecularWeight: 487.46084

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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)17-6-4-8-19(12-17)28(32)33)23-11-10-21(14-22(16)23)36-25(31)18-7-5-9-20(13-18)29(34)35/h4-15H,1-3H3