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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC2=CC=C(C=C2)C(=O)OC)N(C)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)NC2=CC=C(C=C2)C(=O)OC)N(C)C3=CC=CC=C3)[N+](=O)[O-]

InChI

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