[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C17H14N2O7S MolecularWeight: 390.36726

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O7S/c1-27-15-5-2-10(6-12(15)19(22)23)17(21)24-8-16(20)18-11-3-4-13-14(7-11)26-9-25-13/h2-7H,8-9H2,1H3,(H,18,20)