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

Systemtic Name: ethyl 4-[[6-[(2-ethoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[6-(2-ethoxyanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(2-ethoxyanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6-(2-ethoxyanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-nitro-6-(o-phenetidino)pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C21H21N5O5/c1-3-30-17-8-6-5-7-16(17)25-20-18(26(28)29)19(22-13-23-20)24-15-11-9-14(10-12-15)21(27)31-4-2/h5-13H,3-4H2,1-2H3,(H2,22,23,24,25)