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

Systemtic Name: methyl 2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-5-nitro-benzoate Openeye Name: methyl 2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-5-nitro-benzoate CAS Name: 2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-5-nitrobenzoate Traditional Name: 2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-5-nitro-benzoic acid methyl ester Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O6/c1-19(10-13-11-25-16-5-3-4-6-17(16)26-13)15-8-7-12(20(22)23)9-14(15)18(21)24-2/h3-9,13H,10-11H2,1-2H3