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

Systemtic Name: 2-(3-ethoxy-4-nitro-pyrazol-1-yl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine Openeye Name: 2-(3-ethoxy-4-nitro-pyrazol-1-yl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine CAS Name: 2-(3-ethoxy-4-nitro-1-pyrazolyl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine IUPAC Name: 2-(3-ethoxy-4-nitropyrazol-1-yl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine Traditional Name: 2-(3-ethoxy-4-nitro-pyrazol-1-yl)-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidine Formula: C17H14F3N5O4 MolecularWeight: 409.31937

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C=C1[N+](=O)[O-])C2=NC(=CC(=N2)C(F)(F)F)C3=CC(=CC=C3)OC

Isomeric SMILES

CCOC1=NN(C=C1[N+](=O)[O-])C2=NC(=CC(=N2)C(F)(F)F)C3=CC(=CC=C3)OC

InChI

InChI=1S/C17H14F3N5O4/c1-3-29-15-13(25(26)27)9-24(23-15)16-21-12(8-14(22-16)17(18,19)20)10-5-4-6-11(7-10)28-2/h4-9H,3H2,1-2H3