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

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 4-(3-nitrophenyl)sulfonyloxybenzoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 4-(3-nitrophenyl)sulfonyloxybenzoate CAS Name: 4-(3-nitrophenyl)sulfonyloxybenzoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 4-(3-nitrophenyl)sulfonyloxybenzoate Traditional Name: 4-(3-nitrophenyl)sulfonyloxybenzoic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C19H20N2O8S MolecularWeight: 436.4357

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O8S/c1-13(2)11-20-18(22)12-28-19(23)14-6-8-16(9-7-14)29-30(26,27)17-5-3-4-15(10-17)21(24)25/h3-10,13H,11-12H2,1-2H3,(H,20,22)