[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 4-(3-nitrophenyl)sulfonyloxybenzoate

Systemtic Name: [2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 4-(3-nitrophenyl)sulfonyloxybenzoate Openeye Name: [2-oxo-2-(p-tolylmethylamino)ethyl] 4-(3-nitrophenyl)sulfonyloxybenzoate CAS Name: 4-(3-nitrophenyl)sulfonyloxybenzoic acid [2-[(4-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(3-nitrophenyl)sulfonyloxybenzoate Traditional Name: 4-(3-nitrophenyl)sulfonyloxybenzoic acid [2-keto-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C23H20N2O8S MolecularWeight: 484.4785

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H20N2O8S/c1-16-5-7-17(8-6-16)14-24-22(26)15-32-23(27)18-9-11-20(12-10-18)33-34(30,31)21-4-2-3-19(13-21)25(28)29/h2-13H,14-15H2,1H3,(H,24,26)