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

Systemtic Name: ethyl 4-(2-chloranyl-5-nitro-phenyl)-6-methyl-2-phenyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-chloro-5-nitro-phenyl)-6-methyl-2-phenyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(2-chloro-5-nitrophenyl)-6-methyl-2-phenyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chloro-5-nitrophenyl)-6-methyl-2-phenyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(2-chloro-5-nitro-phenyl)-6-methyl-2-phenyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O4/c1-3-28-20(25)17-12(2)22-19(13-7-5-4-6-8-13)23-18(17)15-11-14(24(26)27)9-10-16(15)21/h4-11,18H,3H2,1-2H3,(H,22,23)