ethyl 4-[(5-nitro-2-oxidanyl-phenyl)amino]-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(5-nitro-2-oxidanyl-phenyl)amino]-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-hydroxy-5-nitro-anilino)-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-(2-hydroxy-5-nitroanilino)-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-hydroxy-5-nitroanilino)-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-(2-hydroxy-5-nitro-anilino)-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H16N4O5 MolecularWeight: 380.35414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=C(C=CC(=C2)[N+](=O)[O-])O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=C(C=CC(=C2)[N+](=O)[O-])O)C3=CC=CC=C3

InChI

InChI=1S/C19H16N4O5/c1-2-28-19(25)14-11-20-17(12-6-4-3-5-7-12)22-18(14)21-15-10-13(23(26)27)8-9-16(15)24/h3-11,24H,2H2,1H3,(H,20,21,22)