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

Systemtic Name: [4-[(3-nitrophenyl)carbonyl-(3-nitrophenyl)sulfonyl-amino]phenyl] 3-nitrobenzoate Openeye Name: [4-[(3-nitrobenzoyl)-(3-nitrophenyl)sulfonyl-amino]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[[(3-nitrophenyl)-oxomethyl]-(3-nitrophenyl)sulfonylamino]phenyl] ester IUPAC Name: [4-[(3-nitrobenzoyl)-(3-nitrophenyl)sulfonylamino]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(3-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)[N+](=O)[O-])C(=O)N(C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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