5-methyl-4-[(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one

Systemtic Name: 5-methyl-4-[(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one Openeye Name: 5-methyl-4-[(3-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one CAS Name: 5-methyl-4-[(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one IUPAC Name: 5-methyl-4-[(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one Traditional Name: 4-[(4-keto-3-nitro-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-[3-(trifluoromethyl)phenyl]-3-pyrazolin-3-one Formula: C18H12F3N3O4 MolecularWeight: 391.30079

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC(=C2)C(F)(F)F)C=C3C=CC(=O)C(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC(=C2)C(F)(F)F)C=C3C=CC(=O)C(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H12F3N3O4/c1-10-14(7-11-5-6-16(25)15(8-11)24(27)28)17(26)23(22-10)13-4-2-3-12(9-13)18(19,20)21/h2-9,22H,1H3