[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-(2-nitrophenyl)sulfanylethanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-(2-nitrophenyl)sulfanylethanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 2-(2-nitrophenyl)sulfanylacetate CAS Name: 2-[(2-nitrophenyl)thio]acetic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-(2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(2-nitrophenyl)thio]acetic 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:

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)CSC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)CSC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O7S/c20-16(18-11-5-6-13-14(7-11)26-10-25-13)8-24-17(21)9-27-15-4-2-1-3-12(15)19(22)23/h1-7H,8-10H2,(H,18,20)