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

Systemtic Name: ethyl 2-[[6-[(2,3-dimethylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 2-[[6-(2,3-dimethylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-(2,3-dimethylanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[6-(2,3-dimethylanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-(2,3-dimethylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC2=C(C(=NC=N2)NC3=CC=CC(=C3C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC2=C(C(=NC=N2)NC3=CC=CC(=C3C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4/c1-4-30-21(27)15-9-5-6-10-17(15)25-20-18(26(28)29)19(22-12-23-20)24-16-11-7-8-13(2)14(16)3/h5-12H,4H2,1-3H3,(H2,22,23,24,25)