2-(3-methoxy-4-nitro-pyrazol-1-yl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine

Systemtic Name: 2-(3-methoxy-4-nitro-pyrazol-1-yl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine Openeye Name: 2-(3-methoxy-4-nitro-pyrazol-1-yl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine CAS Name: 2-(3-methoxy-4-nitro-1-pyrazolyl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine IUPAC Name: 2-(3-methoxy-4-nitropyrazol-1-yl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine Traditional Name: 2-(3-methoxy-4-nitro-pyrazol-1-yl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine Formula: C16H12F3N5O4 MolecularWeight: 395.29279

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=NC(=N2)N3C=C(C(=N3)OC)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=NC(=N2)N3C=C(C(=N3)OC)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C16H12F3N5O4/c1-27-10-5-3-4-9(6-10)11-7-13(16(17,18)19)21-15(20-11)23-8-12(24(25)26)14(22-23)28-2/h3-8H,1-2H3