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

Systemtic Name: methyl 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-yl]-5-nitro-benzoate Openeye Name: methyl 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-piperidyl]-5-nitro-benzoate CAS Name: 2-[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidinyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-5-nitrobenzoate Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidino]-5-nitro-benzoic acid methyl ester Formula: C22H22N2O7 MolecularWeight: 426.41928

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H22N2O7/c1-29-22(26)17-13-16(24(27)28)3-4-18(17)23-8-6-14(7-9-23)21(25)15-2-5-19-20(12-15)31-11-10-30-19/h2-5,12-14H,6-11H2,1H3