1,6-diethyl-4-(4-nitrophenyl)-2-(oxidanylidenemethylidene)-3,4-dihydropyridine-5-carboxylic acid

Systemtic Name: 1,6-diethyl-4-(4-nitrophenyl)-2-(oxidanylidenemethylidene)-3,4-dihydropyridine-5-carboxylic acid Openeye Name: 1,6-diethyl-4-(4-nitrophenyl)-2-(oxomethylene)-3,4-dihydropyridine-5-carboxylic acid CAS Name: 1,6-diethyl-4-(4-nitrophenyl)-2-(oxomethylidene)-3,4-dihydropyridine-5-carboxylic acid IUPAC Name: 1,6-diethyl-4-(4-nitrophenyl)-2-(oxomethylidene)-3,4-dihydropyridine-5-carboxylic acid Traditional Name: 1,6-diethyl-2-(ketomethylene)-4-(4-nitrophenyl)-3,4-dihydropyridine-5-carboxylic acid Formula: C17H18N2O5 MolecularWeight: 330.33522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(CC(=C=O)N1CC)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC1=C(C(CC(=C=O)N1CC)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H18N2O5/c1-3-15-16(17(21)22)14(9-13(10-20)18(15)4-2)11-5-7-12(8-6-11)19(23)24/h5-8,14H,3-4,9H2,1-2H3,(H,21,22)