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

Systemtic Name: ethyl 2-[[6-[(4-ethoxycarbonylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 2-[[6-(4-ethoxycarbonylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-(4-ethoxycarbonylanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[6-(4-ethoxycarbonylanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-(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=C(C(=NC=N2)NC3=CC=CC=C3C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC=C3C(=O)OCC)[N+](=O)[O-]

InChI

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