ethyl 4-[[6-methyl-5-[(5-nitro-2-oxidanyl-phenyl)methyl]-4-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoate

Systemtic Name: ethyl 4-[[6-methyl-5-[(5-nitro-2-oxidanyl-phenyl)methyl]-4-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoate Openeye Name: ethyl 4-[[5-[(2-hydroxy-5-nitro-phenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoate CAS Name: 4-[[5-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-[(2-hydroxy-5-nitrophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoate Traditional Name: 4-[[5-(2-hydroxy-5-nitro-benzyl)-4-keto-6-methyl-1H-pyrimidin-2-yl]amino]benzoic acid ethyl ester Formula: C21H20N4O6 MolecularWeight: 424.4067

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=O)C(=C(N2)C)CC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=O)C(=C(N2)C)CC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H20N4O6/c1-3-31-20(28)13-4-6-15(7-5-13)23-21-22-12(2)17(19(27)24-21)11-14-10-16(25(29)30)8-9-18(14)26/h4-10,26H,3,11H2,1-2H3,(H2,22,23,24,27)