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

Systemtic Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-[(4-nitrophenyl)amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-nitroanilino)pyrimidine-5-carboxylate CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-4-(4-nitroanilino)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-nitroanilino)pyrimidine-5-carboxylate Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)-4-(4-nitroanilino)pyrimidine-5-carboxylic acid ethyl ester Formula: C18H18N6O4 MolecularWeight: 382.37332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N6O4/c1-4-28-17(25)15-10-19-18(23-12(3)9-11(2)22-23)21-16(15)20-13-5-7-14(8-6-13)24(26)27/h5-10H,4H2,1-3H3,(H,19,20,21)