ethyl 4-[[5-[(4-methoxy-3-nitro-phenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoate

Systemtic Name: ethyl 4-[[5-[(4-methoxy-3-nitro-phenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoate Openeye Name: ethyl 4-[[5-[(4-methoxy-3-nitro-phenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoate CAS Name: 4-[[5-[(4-methoxy-3-nitrophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-[(4-methoxy-3-nitrophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoate Traditional Name: 4-[[4-keto-5-(4-methoxy-3-nitro-benzyl)-6-methyl-1H-pyrimidin-2-yl]amino]benzoic acid ethyl ester Formula: C22H22N4O6 MolecularWeight: 438.43328

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O6/c1-4-32-21(28)15-6-8-16(9-7-15)24-22-23-13(2)17(20(27)25-22)11-14-5-10-19(31-3)18(12-14)26(29)30/h5-10,12H,4,11H2,1-3H3,(H2,23,24,25,27)