2-methylpropyl 4-[[6-[(3-methoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[6-[(3-methoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[6-(3-methoxyanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(3-methoxyanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[6-(3-methoxyanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(m-anisidino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C22H23N5O5 MolecularWeight: 437.44852

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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(=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O5/c1-14(2)12-32-22(28)15-7-9-16(10-8-15)25-20-19(27(29)30)21(24-13-23-20)26-17-5-4-6-18(11-17)31-3/h4-11,13-14H,12H2,1-3H3,(H2,23,24,25,26)