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

Systemtic Name: 2-methylpropyl 4-[[6-[methyl(phenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[6-(N-methylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(N-methylanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[6-(N-methylanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(N-methylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O4/c1-15(2)13-31-22(28)16-9-11-17(12-10-16)25-20-19(27(29)30)21(24-14-23-20)26(3)18-7-5-4-6-8-18/h4-12,14-15H,13H2,1-3H3,(H,23,24,25)