ethyl 4-[(4-chloranyl-2-nitro-phenyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(4-chloranyl-2-nitro-phenyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-chloro-2-nitro-anilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate CAS Name: 4-(4-chloro-2-nitroanilino)-2-(3,5-dimethyl-1-pyrazolyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chloro-2-nitroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylate Traditional Name: 4-(4-chloro-2-nitro-anilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-5-carboxylic acid ethyl ester Formula: C18H17ClN6O4 MolecularWeight: 416.81838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN6O4/c1-4-29-17(26)13-9-20-18(24-11(3)7-10(2)23-24)22-16(13)21-14-6-5-12(19)8-15(14)25(27)28/h5-9H,4H2,1-3H3,(H,20,21,22)