2-cyanoethyl 2,6-dimethyl-4-(3-nitrophenyl)-2-pyridin-3-yl-3,4-dihydro-1H-pyridine-3-carboxylate

Systemtic Name: 2-cyanoethyl 2,6-dimethyl-4-(3-nitrophenyl)-2-pyridin-3-yl-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: 2-cyanoethyl 2,6-dimethyl-4-(3-nitrophenyl)-2-(3-pyridyl)-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-2-(3-pyridinyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl 2,6-dimethyl-4-(3-nitrophenyl)-2-pyridin-3-yl-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-2-(3-pyridyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid 2-cyanoethyl ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(C(N1)(C)C2=CN=CC=C2)C(=O)OCCC#N)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(C(C(N1)(C)C2=CN=CC=C2)C(=O)OCCC#N)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O4/c1-15-12-19(16-6-3-8-18(13-16)26(28)29)20(21(27)30-11-5-9-23)22(2,25-15)17-7-4-10-24-14-17/h3-4,6-8,10,12-14,19-20,25H,5,11H2,1-2H3