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

Systemtic Name: methyl 2-[[6-[(4-methylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[6-(4-methylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-(4-methylanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-(4-methylanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[5-nitro-6-(p-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=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

InChI

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