ethyl 3-[[6-[(2,4-dimethoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 3-[[6-[(2,4-dimethoxyphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[6-(2,4-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[6-(2,4-dimethoxyanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(2,4-dimethoxyanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[6-(2,4-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C21H21N5O6 MolecularWeight: 439.42134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NC3=C(C=C(C=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NC3=C(C=C(C=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O6/c1-4-32-21(27)13-6-5-7-14(10-13)24-19-18(26(28)29)20(23-12-22-19)25-16-9-8-15(30-2)11-17(16)31-3/h5-12H,4H2,1-3H3,(H2,22,23,24,25)