2-methylpropyl 4-[[6-[(2,4-dimethylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[6-[(2,4-dimethylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[6-(2,4-dimethylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(2,4-dimethylanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[6-(2,4-dimethylanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(2,4-dimethylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C23H25N5O4 MolecularWeight: 435.4757

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OCC(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OCC(C)C)C

InChI

InChI=1S/C23H25N5O4/c1-14(2)12-32-23(29)17-6-8-18(9-7-17)26-21-20(28(30)31)22(25-13-24-21)27-19-10-5-15(3)11-16(19)4/h5-11,13-14H,12H2,1-4H3,(H2,24,25,26,27)