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

Systemtic Name: phenethyl 4-(3-chloranylpyridin-2-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate Openeye Name: phenethyl 4-(3-chloro-2-pyridyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(3-chloro-2-pyridinyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(3-chloropyridin-2-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(3-chloro-2-pyridyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid phenethyl ester Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O4/c1-13-17(21(26)29-12-10-15-7-4-3-5-8-15)18(19-16(22)9-6-11-23-19)20(25(27)28)14(2)24-13/h3-9,11,18,24H,10,12H2,1-2H3