methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-5-nitro-benzoate

Systemtic Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-5-nitro-benzoate Openeye Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-5-nitro-benzoate CAS Name: 3-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-5-nitrobenzoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-5-nitro-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)NC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

InChI

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