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

Systemtic Name: [4-[(4-ethoxyphenyl)sulfonyl-(3-nitrophenyl)carbonyl-amino]phenyl] 3-nitrobenzoate Openeye Name: [4-[(4-ethoxyphenyl)sulfonyl-(3-nitrobenzoyl)amino]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(4-ethoxyphenyl)sulfonyl-[(3-nitrophenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[(4-ethoxyphenyl)sulfonyl-(3-nitrobenzoyl)amino]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(3-nitrobenzoyl)-p-phenetylsulfonyl-amino]phenyl] ester Formula: C28H21N3O10S MolecularWeight: 591.54544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C28H21N3O10S/c1-2-40-24-13-15-26(16-14-24)42(38,39)29(27(32)19-5-3-7-22(17-19)30(34)35)21-9-11-25(12-10-21)41-28(33)20-6-4-8-23(18-20)31(36)37/h3-18H,2H2,1H3