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

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-(3-nitrophenyl)sulfonyloxybenzoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 4-(3-nitrophenyl)sulfonyloxybenzoate CAS Name: 4-(3-nitrophenyl)sulfonyloxybenzoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 4-(3-nitrophenyl)sulfonyloxybenzoate Traditional Name: 4-(3-nitrophenyl)sulfonyloxybenzoic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C20H22N2O8S MolecularWeight: 450.46228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O8S/c1-3-15(4-2)21-19(23)13-29-20(24)14-8-10-17(11-9-14)30-31(27,28)18-7-5-6-16(12-18)22(25)26/h5-12,15H,3-4,13H2,1-2H3,(H,21,23)