ethyl 4-[(2-chloranyl-4-nitro-phenyl)amino]-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(2-chloranyl-4-nitro-phenyl)amino]-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-chloro-4-nitro-anilino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate CAS Name: 4-(2-chloro-4-nitroanilino)-2-(4-methyl-1-pyrazolyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chloro-4-nitroanilino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate Traditional Name: 4-(2-chloro-4-nitro-anilino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylic acid ethyl ester Formula: C17H15ClN6O4 MolecularWeight: 402.7918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)N3C=C(C=N3)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)N3C=C(C=N3)C

InChI

InChI=1S/C17H15ClN6O4/c1-3-28-16(25)12-8-19-17(23-9-10(2)7-20-23)22-15(12)21-14-5-4-11(24(26)27)6-13(14)18/h4-9H,3H2,1-2H3,(H,19,21,22)