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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=C(C(=NC=N2)N(C)C3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CN(C1=CC=CC=C1)C2=C(C(=NC=N2)N(C)C3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

InChI

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