5-ethanoyl-6-(3-methoxy-2-nitro-4-oxidanyl-phenyl)-4-methyl-3-phenethyl-1,6-dihydropyrimidin-2-one

Systemtic Name: 5-ethanoyl-6-(3-methoxy-2-nitro-4-oxidanyl-phenyl)-4-methyl-3-phenethyl-1,6-dihydropyrimidin-2-one Openeye Name: 5-acetyl-6-(4-hydroxy-3-methoxy-2-nitro-phenyl)-4-methyl-3-phenethyl-1,6-dihydropyrimidin-2-one CAS Name: 5-acetyl-6-(4-hydroxy-3-methoxy-2-nitrophenyl)-4-methyl-3-phenethyl-1,6-dihydropyrimidin-2-one IUPAC Name: 5-acetyl-6-(4-hydroxy-3-methoxy-2-nitrophenyl)-4-methyl-3-phenethyl-1,6-dihydropyrimidin-2-one Traditional Name: 5-acetyl-6-(4-hydroxy-3-methoxy-2-nitro-phenyl)-4-methyl-3-phenethyl-1,6-dihydropyrimidin-2-one Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CCC2=CC=CC=C2)C3=C(C(=C(C=C3)O)OC)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC1=C(C(NC(=O)N1CCC2=CC=CC=C2)C3=C(C(=C(C=C3)O)OC)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C22H23N3O6/c1-13-18(14(2)26)19(16-9-10-17(27)21(31-3)20(16)25(29)30)23-22(28)24(13)12-11-15-7-5-4-6-8-15/h4-10,19,27H,11-12H2,1-3H3,(H,23,28)