O5-ethyl O3-methyl 2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-ethyl O3-methyl 2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-methyl 2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester IUPAC Name: 5-O-ethyl 3-O-methyl 2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=CNC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C

InChI

InChI=1S/C17H18N2O6/c1-4-25-16(20)13-9-18-10(2)14(17(21)24-3)15(13)11-6-5-7-12(8-11)19(22)23/h5-9,15,18H,4H2,1-3H3