4-[3-[(E)-hydroxyiminomethyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid

Systemtic Name: 4-[3-[(E)-hydroxyiminomethyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Openeye Name: 4-[3-[(E)-hydroxyiminomethyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid CAS Name: 4-[3-[(E)-hydroxyiminomethyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid IUPAC Name: 4-[3-[(E)-hydroxyiminomethyl]-2,5-dimethylpyrrol-1-yl]benzoic acid Traditional Name: 4-[3-[(E)-hydroximinomethyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Formula: C14H14N2O3 MolecularWeight: 258.27256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)C=NO

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)O)C)/C=N/O

InChI

InChI=1S/C14H14N2O3/c1-9-7-12(8-15-19)10(2)16(9)13-5-3-11(4-6-13)14(17)18/h3-8,19H,1-2H3,(H,17,18)/b15-8+