methyl 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)-5-nitro-benzoate

Systemtic Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)-5-nitro-benzoate Openeye Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)-5-nitro-benzoate CAS Name: 3-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)-5-nitrobenzoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)-5-nitro-benzoic acid methyl ester Formula: C18H16N2O7 MolecularWeight: 372.32884

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NCC2COC3=CC=CC=C3O2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCC2COC3=CC=CC=C3O2)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O7/c1-25-18(22)12-6-11(7-13(8-12)20(23)24)17(21)19-9-14-10-26-15-4-2-3-5-16(15)27-14/h2-8,14H,9-10H2,1H3,(H,19,21)