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

Systemtic Name: ethyl 4-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-6-methyl-2-phenyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-hydroxy-3-methoxy-5-nitro-phenyl)-6-methyl-2-phenyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-phenyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-6-methyl-2-phenyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(4-hydroxy-3-methoxy-5-nitro-phenyl)-6-methyl-2-phenyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O6/c1-4-30-21(26)17-12(2)22-20(13-8-6-5-7-9-13)23-18(17)14-10-15(24(27)28)19(25)16(11-14)29-3/h5-11,18,25H,4H2,1-3H3,(H,22,23)