[4-[(4-methyl-3-nitro-phenyl)sulfonyl-(3-nitrophenyl)carbonyl-amino]phenyl] 3-nitrobenzoate

Systemtic Name: [4-[(4-methyl-3-nitro-phenyl)sulfonyl-(3-nitrophenyl)carbonyl-amino]phenyl] 3-nitrobenzoate Openeye Name: [4-[(4-methyl-3-nitro-phenyl)sulfonyl-(3-nitrobenzoyl)amino]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(4-methyl-3-nitrophenyl)sulfonyl-[(3-nitrophenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[(4-methyl-3-nitrophenyl)sulfonyl-(3-nitrobenzoyl)amino]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(4-methyl-3-nitro-phenyl)sulfonyl-(3-nitrobenzoyl)amino]phenyl] ester Formula: C27H18N4O11S MolecularWeight: 606.51702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=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-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=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-])[N+](=O)[O-]

InChI

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