ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-nitrophenoxy)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-nitrophenoxy)pyrimidine-5-carboxylate Openeye Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-nitrophenoxy)pyrimidine-5-carboxylate CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-4-(4-nitrophenoxy)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-nitrophenoxy)pyrimidine-5-carboxylate Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)-4-(4-nitrophenoxy)pyrimidine-5-carboxylic acid ethyl ester Formula: C18H17N5O5 MolecularWeight: 383.35808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1OC2=CC=C(C=C2)[N+](=O)[O-])N3C(=CC(=N3)C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1OC2=CC=C(C=C2)[N+](=O)[O-])N3C(=CC(=N3)C)C

InChI

InChI=1S/C18H17N5O5/c1-4-27-17(24)15-10-19-18(22-12(3)9-11(2)21-22)20-16(15)28-14-7-5-13(6-8-14)23(25)26/h5-10H,4H2,1-3H3