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

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-nitro-benzoate Openeye Name: ethyl 3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-nitro-benzoate CAS Name: 3-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-nitrobenzoate Traditional Name: 3-nitro-5-(piperonylcarbamoyl)benzoic acid ethyl ester Formula: C18H16N2O7 MolecularWeight: 372.32884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O7/c1-2-25-18(22)13-6-12(7-14(8-13)20(23)24)17(21)19-9-11-3-4-15-16(5-11)27-10-26-15/h3-8H,2,9-10H2,1H3,(H,19,21)