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

Systemtic Name: [4-[(4-nitrophenyl)carbonyl-(3-nitrophenyl)sulfonyl-amino]phenyl] 4-nitrobenzoate Openeye Name: [4-[(4-nitrobenzoyl)-(3-nitrophenyl)sulfonyl-amino]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[[(4-nitrophenyl)-oxomethyl]-(3-nitrophenyl)sulfonylamino]phenyl] ester IUPAC Name: [4-[(4-nitrobenzoyl)-(3-nitrophenyl)sulfonylamino]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[(4-nitrobenzoyl)-(3-nitrophenyl)sulfonyl-amino]phenyl] ester Formula: C26H16N4O11S MolecularWeight: 592.49044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)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-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)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-])[N+](=O)[O-]

InChI

InChI=1S/C26H16N4O11S/c31-25(17-4-8-20(9-5-17)28(33)34)27(42(39,40)24-3-1-2-22(16-24)30(37)38)19-12-14-23(15-13-19)41-26(32)18-6-10-21(11-7-18)29(35)36/h1-16H