3-[1-oxidanidyl-2-[(E)-prop-1-enyl]imidazol-1-ium-1-yl]-4-oxidanyl-benzoic acid

Systemtic Name: 3-[1-oxidanidyl-2-[(E)-prop-1-enyl]imidazol-1-ium-1-yl]-4-oxidanyl-benzoic acid Openeye Name: 4-hydroxy-3-[1-oxido-2-[(E)-prop-1-enyl]imidazol-1-ium-1-yl]benzoic acid CAS Name: 4-hydroxy-3-[1-oxido-2-[(E)-prop-1-enyl]-1-imidazol-1-iumyl]benzoic acid IUPAC Name: 4-hydroxy-3-[1-oxido-2-[(E)-prop-1-enyl]imidazol-1-ium-1-yl]benzoic acid Traditional Name: 4-hydroxy-3-[1-oxido-2-[(E)-prop-1-enyl]imidazol-1-ium-1-yl]benzoic acid Formula: C13H12N2O4 MolecularWeight: 260.24538

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=NC=C[N+]1(C2=C(C=CC(=C2)C(=O)O)O)[O-]

Isomeric SMILES

C/C=C/C1=NC=C[N+]1(C2=C(C=CC(=C2)C(=O)O)O)[O-]

InChI

InChI=1S/C13H12N2O4/c1-2-3-12-14-6-7-15(12,19)10-8-9(13(17)18)4-5-11(10)16/h2-8,16H,1H3,(H,17,18)/b3-2+