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

Systemtic Name: ethyl 4-[[6-[(4-acetamidophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[6-(4-acetamidoanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(4-acetamidoanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6-(4-acetamidoanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(4-acetamidoanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C21H20N6O5 MolecularWeight: 436.4207

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N6O5/c1-3-32-21(29)14-4-6-16(7-5-14)25-19-18(27(30)31)20(23-12-22-19)26-17-10-8-15(9-11-17)24-13(2)28/h4-12H,3H2,1-2H3,(H,24,28)(H2,22,23,25,26)