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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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