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

Systemtic Name: methyl 2-[[6-[[4-(2-methylpropoxycarbonyl)phenyl]amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[6-(4-isobutoxycarbonylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-[4-[2-methylpropoxy(oxo)methyl]anilino]-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-[4-(2-methylpropoxycarbonyl)anilino]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-(4-isobutoxycarbonylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C23H23N5O6 MolecularWeight: 465.45862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5O6/c1-14(2)12-34-22(29)15-8-10-16(11-9-15)26-20-19(28(31)32)21(25-13-24-20)27-18-7-5-4-6-17(18)23(30)33-3/h4-11,13-14H,12H2,1-3H3,(H2,24,25,26,27)