[2-(1-oxidanidyl-3-prop-2-enyl-imidazol-1-ium-4-yl)phenyl]carbamic acid

Systemtic Name: [2-(1-oxidanidyl-3-prop-2-enyl-imidazol-1-ium-4-yl)phenyl]carbamic acid Openeye Name: [2-(3-allyl-1-oxido-imidazol-1-ium-4-yl)phenyl]carbamic acid CAS Name: [2-(1-oxido-3-prop-2-enyl-4-imidazol-1-iumyl)phenyl]carbamic acid IUPAC Name: [2-(1-oxido-3-prop-2-enylimidazol-1-ium-4-yl)phenyl]carbamic acid Traditional Name: [2-(3-allyl-1-oxido-imidazol-1-ium-4-yl)phenyl]carbamic acid Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=[N+](C=C1C2=CC=CC=C2NC(=O)O)[O-]

Isomeric SMILES

C=CCN1C=[N+](C=C1C2=CC=CC=C2NC(=O)O)[O-]

InChI

InChI=1S/C13H13N3O3/c1-2-7-15-9-16(19)8-12(15)10-5-3-4-6-11(10)14-13(17)18/h2-6,8-9,14H,1,7H2,(H,17,18)