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

Systemtic Name: [2,2,4-trimethyl-1-(2-nitrophenyl)carbonyl-quinolin-6-yl] 4-chloranyl-3-nitro-benzoate Openeye Name: [2,2,4-trimethyl-1-(2-nitrobenzoyl)-6-quinolyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-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] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [2,2,4-trimethyl-1-(2-nitrobenzoyl)-6-quinolyl] ester Formula: C26H20ClN3O7 MolecularWeight: 521.9059

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H20ClN3O7/c1-15-14-26(2,3)28(24(31)18-6-4-5-7-22(18)29(33)34)21-11-9-17(13-19(15)21)37-25(32)16-8-10-20(27)23(12-16)30(35)36/h4-14H,1-3H3