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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O7/c1-2-24-17(21)11-5-10(6-13(7-11)19(22)23)16(20)18-12-3-4-14-15(8-12)26-9-25-14/h3-8H,2,9H2,1H3,(H,18,20)