[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxoethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [2-(1H-indol-3-yl)-2-keto-ethyl] ester Formula: C18H12N2O7 MolecularWeight: 368.29708

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C(=O)OCC(=O)C3=CNC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C(=O)OCC(=O)C3=CNC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C18H12N2O7/c21-15(12-7-19-13-4-2-1-3-10(12)13)8-25-18(22)11-5-16-17(27-9-26-16)6-14(11)20(23)24/h1-7,19H,8-9H2