methyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]-5-nitro-benzoic acid methyl ester Formula: C19H18N2O7 MolecularWeight: 386.35542

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NCCC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCCC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O7/c1-26-19(23)14-9-13(10-15(11-14)21(24)25)18(22)20-5-4-12-2-3-16-17(8-12)28-7-6-27-16/h2-3,8-11H,4-7H2,1H3,(H,20,22)