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

Systemtic Name: [1-(4-chloranyl-3-nitro-phenyl)carbonyl-2,2,4-trimethyl-quinolin-6-yl] 2-nitrobenzoate Openeye Name: [1-(4-chloro-3-nitro-benzoyl)-2,2,4-trimethyl-6-quinolyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [1-[(4-chloro-3-nitrophenyl)-oxomethyl]-2,2,4-trimethyl-6-quinolinyl] ester IUPAC Name: [1-(4-chloro-3-nitrobenzoyl)-2,2,4-trimethylquinolin-6-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [1-(4-chloro-3-nitro-benzoyl)-2,2,4-trimethyl-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=CC=C3[N+](=O)[O-])C(=O)C4=CC(=C(C=C4)Cl)[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(=C(C=C4)Cl)[N+](=O)[O-])(C)C

InChI

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