dimethyl 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 4-(3-nitrophenyl)-1-piperonyl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C23H20N2O8 MolecularWeight: 452.4135

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CN(C=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H20N2O8/c1-30-22(26)17-11-24(10-14-6-7-19-20(8-14)33-13-32-19)12-18(23(27)31-2)21(17)15-4-3-5-16(9-15)25(28)29/h3-9,11-12,21H,10,13H2,1-2H3