propan-2-yl 2-(hydroxymethyl)-6-methanoyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: propan-2-yl 2-(hydroxymethyl)-6-methanoyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: isopropyl 6-formyl-2-(hydroxymethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 6-formyl-2-(hydroxymethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-formyl-2-(hydroxymethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-formyl-2-methylol-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid isopropyl ester Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(NC(=CC1C2=CC(=CC=C2)[N+](=O)[O-])C=O)CO

Isomeric SMILES

CC(C)OC(=O)C1=C(NC(=CC1C2=CC(=CC=C2)[N+](=O)[O-])C=O)CO

InChI

InChI=1S/C17H18N2O6/c1-10(2)25-17(22)16-14(7-12(8-20)18-15(16)9-21)11-4-3-5-13(6-11)19(23)24/h3-8,10,14,18,21H,9H2,1-2H3