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

Systemtic Name: 2-methylpropyl 4-[[6-[(4-ethanoylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[6-(4-acetylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(4-acetylanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(4-acetylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C23H23N5O5 MolecularWeight: 449.45922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C23H23N5O5/c1-14(2)12-33-23(30)17-6-10-19(11-7-17)27-22-20(28(31)32)21(24-13-25-22)26-18-8-4-16(5-9-18)15(3)29/h4-11,13-14H,12H2,1-3H3,(H2,24,25,26,27)