(5-methoxy-2-oxidanyl-phenyl)-[1-[2-nitro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone

Systemtic Name: (5-methoxy-2-oxidanyl-phenyl)-[1-[2-nitro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone Openeye Name: (2-hydroxy-5-methoxy-phenyl)-[1-[2-nitro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone CAS Name: (2-hydroxy-5-methoxyphenyl)-[1-[2-nitro-4-(trifluoromethyl)phenyl]-4-pyrazolyl]methanone IUPAC Name: (2-hydroxy-5-methoxyphenyl)-[1-[2-nitro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone Traditional Name: (2-hydroxy-5-methoxy-phenyl)-[1-[2-nitro-4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone Formula: C18H12F3N3O5 MolecularWeight: 407.30019

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)C(=O)C2=CN(N=C2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)O)C(=O)C2=CN(N=C2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H12F3N3O5/c1-29-12-3-5-16(25)13(7-12)17(26)10-8-22-23(9-10)14-4-2-11(18(19,20)21)6-15(14)24(27)28/h2-9,25H,1H3