[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-(2,5-dimethylphenyl)sulfonyloxybenzoate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-(2,5-dimethylphenyl)sulfonyloxybenzoate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 4-(2,5-dimethylphenyl)sulfonyloxybenzoate CAS Name: 4-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 4-(2,5-dimethylphenyl)sulfonyloxybenzoate Traditional Name: 4-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C23H20N2O8S MolecularWeight: 484.4785

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C23H20N2O8S/c1-15-7-8-16(2)21(13-15)34(30,31)33-18-11-9-17(10-12-18)23(27)32-14-22(26)24-19-5-3-4-6-20(19)25(28)29/h3-13H,14H2,1-2H3,(H,24,26)