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

Systemtic Name: methyl 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-5-nitro-benzoate Openeye Name: methyl 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-5-nitro-benzoate CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-5-nitrobenzoate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-5-nitro-benzoic acid methyl ester Formula: C17H16N2O6 MolecularWeight: 344.31874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O6/c1-23-17(20)13-8-11(19(21)22)6-7-14(13)18-9-12-10-24-15-4-2-3-5-16(15)25-12/h2-8,12,18H,9-10H2,1H3