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

Systemtic Name: methyl 4-[[5-[(2-methoxy-5-nitro-phenyl)methyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H20N4O6 MolecularWeight: 424.4067

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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