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

Systemtic Name: 2-methylpropyl 4-[[6-[(2,4-dichlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[6-(2,4-dichloroanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(2,4-dichloroanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[6-(2,4-dichloroanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(2,4-dichloroanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C21H19Cl2N5O4 MolecularWeight: 476.31266

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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=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H19Cl2N5O4/c1-12(2)10-32-21(29)13-3-6-15(7-4-13)26-19-18(28(30)31)20(25-11-24-19)27-17-8-5-14(22)9-16(17)23/h3-9,11-12H,10H2,1-2H3,(H2,24,25,26,27)