2-[(4-ethanoylphenyl)amino]-5-[(4-methoxy-3-nitro-phenyl)methyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(4-ethanoylphenyl)amino]-5-[(4-methoxy-3-nitro-phenyl)methyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-(4-acetylanilino)-5-[(4-methoxy-3-nitro-phenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-(4-acetylanilino)-5-[(4-methoxy-3-nitrophenyl)methyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-(4-acetylanilino)-5-[(4-methoxy-3-nitrophenyl)methyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(4-acetylanilino)-5-(4-methoxy-3-nitro-benzyl)-6-methyl-1H-pyrimidin-4-one Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)NC2=CC=C(C=C2)C(=O)C)CC3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N=C(N1)NC2=CC=C(C=C2)C(=O)C)CC3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5/c1-12-17(10-14-4-9-19(30-3)18(11-14)25(28)29)20(27)24-21(22-12)23-16-7-5-15(6-8-16)13(2)26/h4-9,11H,10H2,1-3H3,(H2,22,23,24,27)