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

Systemtic Name: phenethyl 4-(6-chloranylpyridin-2-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate Openeye Name: phenethyl 4-(6-chloro-2-pyridyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(6-chloro-2-pyridinyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(6-chloropyridin-2-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(6-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=NC(=CC=C2)Cl)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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