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

Systemtic Name: [4-[(4-bromophenyl)sulfonyl-(4-nitrophenyl)carbonyl-amino]phenyl] 4-nitrobenzoate Openeye Name: [4-[(4-bromophenyl)sulfonyl-(4-nitrobenzoyl)amino]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[(4-bromophenyl)sulfonyl-[(4-nitrophenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[(4-bromophenyl)sulfonyl-(4-nitrobenzoyl)amino]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[brosyl-(4-nitrobenzoyl)amino]phenyl] ester Formula: C26H16BrN3O9S MolecularWeight: 626.38894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N(C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)N(C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C26H16BrN3O9S/c27-19-5-15-24(16-6-19)40(37,38)28(25(31)17-1-7-21(8-2-17)29(33)34)20-11-13-23(14-12-20)39-26(32)18-3-9-22(10-4-18)30(35)36/h1-16H