2-(1-methylcyclopropyl)-3-[2-nitro-4-(trifluoromethyl)phenyl]-3-oxidanylidene-propanal

Systemtic Name: 2-(1-methylcyclopropyl)-3-[2-nitro-4-(trifluoromethyl)phenyl]-3-oxidanylidene-propanal Openeye Name: 2-(1-methylcyclopropyl)-3-[2-nitro-4-(trifluoromethyl)phenyl]-3-oxo-propanal CAS Name: 2-(1-methylcyclopropyl)-3-[2-nitro-4-(trifluoromethyl)phenyl]-3-oxopropanal IUPAC Name: 2-(1-methylcyclopropyl)-3-[2-nitro-4-(trifluoromethyl)phenyl]-3-oxopropanal Traditional Name: 3-keto-2-(1-methylcyclopropyl)-3-[2-nitro-4-(trifluoromethyl)phenyl]propionaldehyde Formula: C14H12F3NO4 MolecularWeight: 315.24459

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1)C(C=O)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1(CC1)C(C=O)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H12F3NO4/c1-13(4-5-13)10(7-19)12(20)9-3-2-8(14(15,16)17)6-11(9)18(21)22/h2-3,6-7,10H,4-5H2,1H3