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

Systemtic Name: methyl 4-[[6-methyl-5-[(5-nitro-2-oxidanyl-phenyl)methyl]-4-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H18N4O6 MolecularWeight: 410.38012

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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-])O

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-])O

InChI

InChI=1S/C20H18N4O6/c1-11-16(10-13-9-15(24(28)29)7-8-17(13)25)18(26)23-20(21-11)22-14-5-3-12(4-6-14)19(27)30-2/h3-9,25H,10H2,1-2H3,(H2,21,22,23,26)