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

Systemtic Name: [4-[(4-bromophenyl)sulfonyl-(3-nitrophenyl)carbonyl-amino]phenyl] 3-nitrobenzoate Openeye Name: [4-[(4-bromophenyl)sulfonyl-(3-nitrobenzoyl)amino]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(4-bromophenyl)sulfonyl-[(3-nitrophenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[(4-bromophenyl)sulfonyl-(3-nitrobenzoyl)amino]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[brosyl-(3-nitrobenzoyl)amino]phenyl] ester Formula: C26H16BrN3O9S MolecularWeight: 626.38894

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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=C(C=C4)Br

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=C(C=C4)Br

InChI

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