[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate CAS Name: 2-[(4-ethoxyphenyl)sulfonylamino]benzoic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate Traditional Name: 2-(p-phenetylsulfonylamino)benzoic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C23H20BrN3O8S MolecularWeight: 578.3892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C23H20BrN3O8S/c1-2-34-16-8-10-17(11-9-16)36(32,33)26-20-6-4-3-5-18(20)23(29)35-14-22(28)25-21-12-7-15(27(30)31)13-19(21)24/h3-13,26H,2,14H2,1H3,(H,25,28)