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

Systemtic Name: ethyl 3-[[6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[6-(3,4-dimethylphenoxy)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(3,4-dimethylphenoxy)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)OC3=CC(=C(C=C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)OC3=CC(=C(C=C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5/c1-4-29-21(26)15-6-5-7-16(11-15)24-19-18(25(27)28)20(23-12-22-19)30-17-9-8-13(2)14(3)10-17/h5-12H,4H2,1-3H3,(H,22,23,24)