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

Systemtic Name: methyl 2-[[6-[methyl(phenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[6-(N-methylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-(N-methylanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-(N-methylanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-(N-methylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C19H17N5O4 MolecularWeight: 379.36938

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C19H17N5O4/c1-23(13-8-4-3-5-9-13)18-16(24(26)27)17(20-12-21-18)22-15-11-7-6-10-14(15)19(25)28-2/h3-12H,1-2H3,(H,20,21,22)