[2-(cyclopropylamino)-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCC(=O)NC2CC2)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OCC(=O)NC2CC2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O5S/c1-21-11-5-2-8(6-10(11)15(18)19)13(17)20-7-12(16)14-9-3-4-9/h2,5-6,9H,3-4,7H2,1H3,(H,14,16)