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

Systemtic Name: methyl 2-[methyl-[6-[(2-methylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[methyl-[6-(2-methylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[methyl-[6-(2-methylanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[methyl-[6-(2-methylanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[methyl-[5-nitro-6-(o-toluidino)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C20H19N5O4 MolecularWeight: 393.39596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=C(C(=NC=N2)N(C)C3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC2=C(C(=NC=N2)N(C)C3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O4/c1-13-8-4-6-10-15(13)23-18-17(25(27)28)19(22-12-21-18)24(2)16-11-7-5-9-14(16)20(26)29-3/h4-12H,1-3H3,(H,21,22,23)