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

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 4-(3-nitrophenyl)sulfonyloxybenzoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 4-(3-nitrophenyl)sulfonyloxybenzoate CAS Name: 4-(3-nitrophenyl)sulfonyloxybenzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 4-(3-nitrophenyl)sulfonyloxybenzoate Traditional Name: 4-(3-nitrophenyl)sulfonyloxybenzoic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C18H16N2O8S MolecularWeight: 420.39324

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)COC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC(=O)COC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O8S/c21-17(19-13-6-7-13)11-27-18(22)12-4-8-15(9-5-12)28-29(25,26)16-3-1-2-14(10-16)20(23)24/h1-5,8-10,13H,6-7,11H2,(H,19,21)