phenethyl 2,6-dimethyl-5-nitro-4-pyridin-2-yl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: phenethyl 2,6-dimethyl-5-nitro-4-pyridin-2-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: phenethyl 2,6-dimethyl-5-nitro-4-(2-pyridyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-5-nitro-4-(2-pyridinyl)-1,4-dihydropyridine-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 2,6-dimethyl-5-nitro-4-pyridin-2-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: 2,6-dimethyl-5-nitro-4-(2-pyridyl)-1,4-dihydropyridine-3-carboxylic acid phenethyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=N2)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=N2)C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4/c1-14-18(21(25)28-13-11-16-8-4-3-5-9-16)19(17-10-6-7-12-22-17)20(24(26)27)15(2)23-14/h3-10,12,19,23H,11,13H2,1-2H3