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

Systemtic Name: 2-methylpropyl 4-[[6-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(5-chloro-2,4-dimethoxyanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[6-(5-chloro-2,4-dimethoxyanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C23H24ClN5O6 MolecularWeight: 501.91956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC(=C(C=C3OC)OC)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC(=C(C=C3OC)OC)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H24ClN5O6/c1-13(2)11-35-23(30)14-5-7-15(8-6-14)27-21-20(29(31)32)22(26-12-25-21)28-17-9-16(24)18(33-3)10-19(17)34-4/h5-10,12-13H,11H2,1-4H3,(H2,25,26,27,28)