phenethyl 2,6-dimethyl-4-(6-methylpyridin-2-yl)-5-nitro-1,4-dihydropyridine-3-carboxylate

Systemtic Name: phenethyl 2,6-dimethyl-4-(6-methylpyridin-2-yl)-5-nitro-1,4-dihydropyridine-3-carboxylate Openeye Name: phenethyl 2,6-dimethyl-4-(6-methyl-2-pyridyl)-5-nitro-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-4-(6-methyl-2-pyridinyl)-5-nitro-1,4-dihydropyridine-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 2,6-dimethyl-4-(6-methylpyridin-2-yl)-5-nitro-1,4-dihydropyridine-3-carboxylate Traditional Name: 2,6-dimethyl-4-(6-methyl-2-pyridyl)-5-nitro-1,4-dihydropyridine-3-carboxylic acid phenethyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=N1)C2C(=C(NC(=C2[N+](=O)[O-])C)C)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=N1)C2C(=C(NC(=C2[N+](=O)[O-])C)C)C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4/c1-14-8-7-11-18(23-14)20-19(15(2)24-16(3)21(20)25(27)28)22(26)29-13-12-17-9-5-4-6-10-17/h4-11,20,24H,12-13H2,1-3H3