(E)-3-(2,5-dimethyl-3-nitro-phenyl)prop-2-enoic acid

Systemtic Name: (E)-3-(2,5-dimethyl-3-nitro-phenyl)prop-2-enoic acid Openeye Name: (E)-3-(2,5-dimethyl-3-nitro-phenyl)prop-2-enoic acid CAS Name: (E)-3-(2,5-dimethyl-3-nitrophenyl)-2-propenoic acid IUPAC Name: (E)-3-(2,5-dimethyl-3-nitrophenyl)prop-2-enoic acid Traditional Name: (E)-3-(2,5-dimethyl-3-nitro-phenyl)acrylic acid Formula: C11H11NO4 MolecularWeight: 221.20934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO4/c1-7-5-9(3-4-11(13)14)8(2)10(6-7)12(15)16/h3-6H,1-2H3,(H,13,14)/b4-3+