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

Systemtic Name: ethyl 3-[[6-[(4-acetamidophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[6-(4-acetamidoanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[6-(4-acetamidoanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(4-acetamidoanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[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(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)NC(=O)C

InChI

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