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

Systemtic Name: 2-[(4-ethanoylphenyl)amino]-6-methyl-5-[(5-nitro-2-oxidanyl-phenyl)methyl]-1H-pyrimidin-4-one Openeye Name: 2-(4-acetylanilino)-5-[(2-hydroxy-5-nitro-phenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-(4-acetylanilino)-5-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-(4-acetylanilino)-5-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(4-acetylanilino)-5-(2-hydroxy-5-nitro-benzyl)-6-methyl-1H-pyrimidin-4-one Formula: C20H18N4O5 MolecularWeight: 394.38072

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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=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O5/c1-11-17(10-14-9-16(24(28)29)7-8-18(14)26)19(27)23-20(21-11)22-15-5-3-13(4-6-15)12(2)25/h3-9,26H,10H2,1-2H3,(H2,21,22,23,27)