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

Systemtic Name: 2-methylpropyl 4-[[6-[ethyl(phenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[6-(N-ethylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(N-ethylanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[6-(N-ethylanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(N-ethylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C23H25N5O4 MolecularWeight: 435.4757

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O4/c1-4-27(19-8-6-5-7-9-19)22-20(28(30)31)21(24-15-25-22)26-18-12-10-17(11-13-18)23(29)32-14-16(2)3/h5-13,15-16H,4,14H2,1-3H3,(H,24,25,26)