methyl 3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-nitro-benzoate

Systemtic Name: methyl 3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-nitro-benzoate Openeye Name: methyl 3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-nitro-benzoate CAS Name: 3-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-nitrobenzoate Traditional Name: 3-nitro-5-(piperonylcarbamoyl)benzoic acid methyl ester Formula: C17H14N2O7 MolecularWeight: 358.30226

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O7/c1-24-17(21)12-5-11(6-13(7-12)19(22)23)16(20)18-8-10-2-3-14-15(4-10)26-9-25-14/h2-7H,8-9H2,1H3,(H,18,20)