[4-[(2,4-dimethylphenyl)sulfonyl-(3-nitrophenyl)carbonyl-amino]phenyl] 3-nitrobenzoate

Systemtic Name: [4-[(2,4-dimethylphenyl)sulfonyl-(3-nitrophenyl)carbonyl-amino]phenyl] 3-nitrobenzoate Openeye Name: [4-[(2,4-dimethylphenyl)sulfonyl-(3-nitrobenzoyl)amino]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(2,4-dimethylphenyl)sulfonyl-[(3-nitrophenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[(2,4-dimethylphenyl)sulfonyl-(3-nitrobenzoyl)amino]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(2,4-dimethylphenyl)sulfonyl-(3-nitrobenzoyl)amino]phenyl] ester Formula: C28H21N3O9S MolecularWeight: 575.54604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N(C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N(C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C28H21N3O9S/c1-18-9-14-26(19(2)15-18)41(38,39)29(27(32)20-5-3-7-23(16-20)30(34)35)22-10-12-25(13-11-22)40-28(33)21-6-4-8-24(17-21)31(36)37/h3-17H,1-2H3