phenethyl 4-(2-chloranyl-5-nitro-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carboxylate

Systemtic Name: phenethyl 4-(2-chloranyl-5-nitro-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carboxylate Openeye Name: phenethyl 4-(2-chloro-5-nitro-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate CAS Name: 4-(2-chloro-5-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(2-chloro-5-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate Traditional Name: 4-(2-chloro-5-nitro-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyridine-5-carboxylic acid phenethyl ester Formula: C21H19ClN2O5 MolecularWeight: 414.83896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O5/c1-13-20(21(26)29-10-9-14-5-3-2-4-6-14)17(12-19(25)23-13)16-11-15(24(27)28)7-8-18(16)22/h2-8,11,17H,9-10,12H2,1H3,(H,23,25)