(E)-3-(4-methylphenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-(4-methylphenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]prop-2-enoic acid Openeye Name: (E)-2-[2-nitro-4-(trifluoromethyl)phenyl]-3-(p-tolyl)prop-2-enoic acid CAS Name: (E)-3-(4-methylphenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-(4-methylphenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]prop-2-enoic acid Traditional Name: (E)-2-[2-nitro-4-(trifluoromethyl)phenyl]-3-(p-tolyl)acrylic acid Formula: C17H12F3NO4 MolecularWeight: 351.27669

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C(C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)/C=C(\C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])/C(=O)O

InChI

InChI=1S/C17H12F3NO4/c1-10-2-4-11(5-3-10)8-14(16(22)23)13-7-6-12(17(18,19)20)9-15(13)21(24)25/h2-9H,1H3,(H,22,23)/b14-8+