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

Systemtic Name: ethyl 4-[[6-[[4-(2-methylpropoxycarbonyl)phenyl]amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C24H25N5O6 MolecularWeight: 479.4852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)C(=O)OCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)C(=O)OCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C24H25N5O6/c1-4-34-23(30)16-5-9-18(10-6-16)27-21-20(29(32)33)22(26-14-25-21)28-19-11-7-17(8-12-19)24(31)35-13-15(2)3/h5-12,14-15H,4,13H2,1-3H3,(H2,25,26,27,28)