[4-[(2-methyl-5-nitro-phenyl)sulfonyl-(4-nitrophenyl)carbonyl-amino]phenyl] 4-nitrobenzoate

Systemtic Name: [4-[(2-methyl-5-nitro-phenyl)sulfonyl-(4-nitrophenyl)carbonyl-amino]phenyl] 4-nitrobenzoate Openeye Name: [4-[(2-methyl-5-nitro-phenyl)sulfonyl-(4-nitrobenzoyl)amino]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[(2-methyl-5-nitrophenyl)sulfonyl-[(4-nitrophenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[(2-methyl-5-nitrophenyl)sulfonyl-(4-nitrobenzoyl)amino]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[(2-methyl-5-nitro-phenyl)sulfonyl-(4-nitrobenzoyl)amino]phenyl] ester Formula: C27H18N4O11S MolecularWeight: 606.51702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H18N4O11S/c1-17-2-7-23(31(38)39)16-25(17)43(40,41)28(26(32)18-3-8-21(9-4-18)29(34)35)20-12-14-24(15-13-20)42-27(33)19-5-10-22(11-6-19)30(36)37/h2-16H,1H3