ethyl 4-[[2-[(4-ethoxycarbonylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 4-[[2-[(4-ethoxycarbonylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[2-(4-ethoxycarbonylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[2-(4-ethoxycarbonylanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-ethoxycarbonylanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[2-(4-carbethoxyanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C22H21N5O6 MolecularWeight: 451.43204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O6/c1-3-32-20(28)14-5-9-16(10-6-14)24-19-18(27(30)31)13-23-22(26-19)25-17-11-7-15(8-12-17)21(29)33-4-2/h5-13H,3-4H2,1-2H3,(H2,23,24,25,26)