2-(4-cyano-3,5-dimethyl-2-nitro-phenyl)ethanoic acid

Systemtic Name: 2-(4-cyano-3,5-dimethyl-2-nitro-phenyl)ethanoic acid Openeye Name: 2-(4-cyano-3,5-dimethyl-2-nitro-phenyl)acetic acid CAS Name: 2-(4-cyano-3,5-dimethyl-2-nitrophenyl)acetic acid IUPAC Name: 2-(4-cyano-3,5-dimethyl-2-nitrophenyl)acetic acid Traditional Name: 2-(4-cyano-3,5-dimethyl-2-nitro-phenyl)acetic acid Formula: C11H10N2O4 MolecularWeight: 234.2081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N2O4/c1-6-3-8(4-10(14)15)11(13(16)17)7(2)9(6)5-12/h3H,4H2,1-2H3,(H,14,15)