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

Systemtic Name: ethyl 6-methyl-4-(3-nitro-4-oxidanyl-phenyl)-2-phenyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-hydroxy-3-nitro-phenyl)-6-methyl-2-phenyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-phenyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-phenyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(4-hydroxy-3-nitro-phenyl)-6-methyl-2-phenyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5/c1-3-28-20(25)17-12(2)21-19(13-7-5-4-6-8-13)22-18(17)14-9-10-16(24)15(11-14)23(26)27/h4-11,18,24H,3H2,1-2H3,(H,21,22)