ethyl 4-[[6-[(2-methoxy-5-methyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 4-[[6-[(2-methoxy-5-methyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[6-(2-methoxy-5-methyl-anilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(2-methoxy-5-methylanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6-(2-methoxy-5-methylanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(2-methoxy-5-methyl-anilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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