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

Systemtic Name: [4-[(4-tert-butylphenyl)sulfonyl-(3-nitrophenyl)carbonyl-amino]phenyl] 3-nitrobenzoate Openeye Name: [4-[(4-tert-butylphenyl)sulfonyl-(3-nitrobenzoyl)amino]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(4-tert-butylphenyl)sulfonyl-[(3-nitrophenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[(4-tert-butylphenyl)sulfonyl-(3-nitrobenzoyl)amino]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(4-tert-butylphenyl)sulfonyl-(3-nitrobenzoyl)amino]phenyl] ester Formula: C30H25N3O9S MolecularWeight: 603.5992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=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-]

Isomeric SMILES

CC(C)(C)C1=CC=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-]

InChI

InChI=1S/C30H25N3O9S/c1-30(2,3)22-10-16-27(17-11-22)43(40,41)31(28(34)20-6-4-8-24(18-20)32(36)37)23-12-14-26(15-13-23)42-29(35)21-7-5-9-25(19-21)33(38)39/h4-19H,1-3H3