ethyl 5-cyano-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)[N+](=O)[O-])C#N)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)[N+](=O)[O-])C#N)C)C

InChI

InChI=1S/C17H17N3O4/c1-4-24-17(21)15-11(3)19-10(2)14(9-18)16(15)12-5-7-13(8-6-12)20(22)23/h5-8,16,19H,4H2,1-3H3