(E)-3-(2,4,5-trimethyl-3,6-dinitro-phenyl)prop-2-enoic acid

Systemtic Name: (E)-3-(2,4,5-trimethyl-3,6-dinitro-phenyl)prop-2-enoic acid Openeye Name: (E)-3-(2,4,5-trimethyl-3,6-dinitro-phenyl)prop-2-enoic acid CAS Name: (E)-3-(2,4,5-trimethyl-3,6-dinitrophenyl)-2-propenoic acid IUPAC Name: (E)-3-(2,4,5-trimethyl-3,6-dinitrophenyl)prop-2-enoic acid Traditional Name: (E)-3-(2,4,5-trimethyl-3,6-dinitro-phenyl)acrylic acid Formula: C12H12N2O6 MolecularWeight: 280.23348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)[N+](=O)[O-])C=CC(=O)O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C(=C1C)[N+](=O)[O-])/C=C/C(=O)O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O6/c1-6-7(2)12(14(19)20)9(4-5-10(15)16)8(3)11(6)13(17)18/h4-5H,1-3H3,(H,15,16)/b5-4+