methyl 4-[[2-[(4-methoxycarbonylphenyl)amino]-6-methyl-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 4-[[2-[(4-methoxycarbonylphenyl)amino]-6-methyl-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[2-(4-methoxycarbonylanilino)-6-methyl-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[2-(4-methoxycarbonylanilino)-6-methyl-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-methoxycarbonylanilino)-6-methyl-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[2-(4-carbomethoxyanilino)-6-methyl-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C21H19N5O6 MolecularWeight: 437.40546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC2=CC=C(C=C2)C(=O)OC)NC3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)NC2=CC=C(C=C2)C(=O)OC)NC3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O6/c1-12-17(26(29)30)18(23-15-8-4-13(5-9-15)19(27)31-2)25-21(22-12)24-16-10-6-14(7-11-16)20(28)32-3/h4-11H,1-3H3,(H2,22,23,24,25)