4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-keto-2-(piperonylamino)ethyl]thio]-3-nitro-benzamide Formula: C17H15N3O6S MolecularWeight: 389.3825

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O6S/c18-17(22)11-2-4-15(12(6-11)20(23)24)27-8-16(21)19-7-10-1-3-13-14(5-10)26-9-25-13/h1-6H,7-9H2,(H2,18,22)(H,19,21)