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

Systemtic Name: ethyl 4-[[5-[(2-methoxy-5-nitro-phenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoate Openeye Name: ethyl 4-[[5-[(2-methoxy-5-nitro-phenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoate CAS Name: 4-[[5-[(2-methoxy-5-nitrophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-[(2-methoxy-5-nitrophenyl)methyl]-6-methyl-4-oxo-1H-pyrimidin-2-yl]amino]benzoate Traditional Name: 4-[[4-keto-5-(2-methoxy-5-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=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

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