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

Systemtic Name: methyl 2-[[6-[(4-methoxycarbonylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[6-(4-methoxycarbonylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-(4-methoxycarbonylanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-(4-methoxycarbonylanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-(4-carbomethoxyanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C20H17N5O6 MolecularWeight: 423.37888

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O6/c1-30-19(26)12-7-9-13(10-8-12)23-17-16(25(28)29)18(22-11-21-17)24-15-6-4-3-5-14(15)20(27)31-2/h3-11H,1-2H3,(H2,21,22,23,24)