1,3-benzodioxol-5-yl 2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoate

Systemtic Name: 1,3-benzodioxol-5-yl 2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoate Openeye Name: 1,3-benzodioxol-5-yl 2-(4-carbamoyl-2-nitro-phenyl)sulfanylacetate CAS Name: 2-[(4-carbamoyl-2-nitrophenyl)thio]acetic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 2-(4-carbamoyl-2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-carbamoyl-2-nitro-phenyl)thio]acetic acid 1,3-benzodioxol-5-yl ester Formula: C16H12N2O7S MolecularWeight: 376.34068

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)OC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)OC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O7S/c17-16(20)9-1-4-14(11(5-9)18(21)22)26-7-15(19)25-10-2-3-12-13(6-10)24-8-23-12/h1-6H,7-8H2,(H2,17,20)