3-methoxy-4-[[4-nitro-3-(trifluoromethyl)pyrazol-1-yl]methyl]benzaldehyde

Systemtic Name: 3-methoxy-4-[[4-nitro-3-(trifluoromethyl)pyrazol-1-yl]methyl]benzaldehyde Openeye Name: 3-methoxy-4-[[4-nitro-3-(trifluoromethyl)pyrazol-1-yl]methyl]benzaldehyde CAS Name: 3-methoxy-4-[[4-nitro-3-(trifluoromethyl)-1-pyrazolyl]methyl]benzaldehyde IUPAC Name: 3-methoxy-4-[[4-nitro-3-(trifluoromethyl)pyrazol-1-yl]methyl]benzaldehyde Traditional Name: 3-methoxy-4-[[4-nitro-3-(trifluoromethyl)pyrazol-1-yl]methyl]benzaldehyde Formula: C13H10F3N3O4 MolecularWeight: 329.23141

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=O)CN2C=C(C(=N2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C=O)CN2C=C(C(=N2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H10F3N3O4/c1-23-11-4-8(7-20)2-3-9(11)5-18-6-10(19(21)22)12(17-18)13(14,15)16/h2-4,6-7H,5H2,1H3