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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C19H17N5O4/c1-12-7-3-5-9-14(12)22-17-16(24(26)27)18(21-11-20-17)23-15-10-6-4-8-13(15)19(25)28-2/h3-11H,1-2H3,(H2,20,21,22,23)