methyl 3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)carbamoyl]-5-nitro-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1COC2=CC=CC=C2O1)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN(CC1COC2=CC=CC=C2O1)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H18N2O7/c1-20(10-15-11-27-16-5-3-4-6-17(16)28-15)18(22)12-7-13(19(23)26-2)9-14(8-12)21(24)25/h3-9,15H,10-11H2,1-2H3