2-cyanoethyl 5-ethanoyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 2-cyanoethyl 5-ethanoyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: 2-cyanoethyl 5-acetyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-acetyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl 5-acetyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-acetyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 2-cyanoethyl ester Formula: C19H19N3O5 MolecularWeight: 369.37126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCCC#N)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCCC#N)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C19H19N3O5/c1-11-16(13(3)23)18(14-6-4-7-15(10-14)22(25)26)17(12(2)21-11)19(24)27-9-5-8-20/h4,6-7,10,18,21H,5,9H2,1-3H3