ethyl 6-(4-chloranyl-3-nitro-phenyl)-4-methyl-2-oxidanylidene-3-(pyridin-3-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(4-chloranyl-3-nitro-phenyl)-4-methyl-2-oxidanylidene-3-(pyridin-3-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(4-chloro-3-nitro-phenyl)-4-methyl-2-oxo-3-(3-pyridylmethyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-chloro-3-nitrophenyl)-4-methyl-2-oxo-3-(3-pyridinylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-chloro-3-nitrophenyl)-4-methyl-2-oxo-3-(pyridin-3-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(4-chloro-3-nitro-phenyl)-2-keto-4-methyl-3-(3-pyridylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H19ClN4O5 MolecularWeight: 430.84166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=C(C=C2)Cl)[N+](=O)[O-])CC3=CN=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=C(C=C2)Cl)[N+](=O)[O-])CC3=CN=CC=C3)C

InChI

InChI=1S/C20H19ClN4O5/c1-3-30-19(26)17-12(2)24(11-13-5-4-8-22-10-13)20(27)23-18(17)14-6-7-15(21)16(9-14)25(28)29/h4-10,18H,3,11H2,1-2H3,(H,23,27)