ethyl 4-(4-chloranyl-2-nitro-phenyl)-2-(3-fluoranylpyridin-2-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-chloranyl-2-nitro-phenyl)-2-(3-fluoranylpyridin-2-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-chloro-2-nitro-phenyl)-2-(3-fluoro-2-pyridyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(4-chloro-2-nitrophenyl)-2-(3-fluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chloro-2-nitrophenyl)-2-(3-fluoropyridin-2-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(4-chloro-2-nitro-phenyl)-2-(3-fluoro-2-pyridyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C19H16ClFN4O4 MolecularWeight: 418.806143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=NC1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C3=C(C=CC=N3)F)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=NC1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C3=C(C=CC=N3)F)C

InChI

InChI=1S/C19H16ClFN4O4/c1-3-29-19(26)15-10(2)23-18(17-13(21)5-4-8-22-17)24-16(15)12-7-6-11(20)9-14(12)25(27)28/h4-9,16H,3H2,1-2H3,(H,23,24)