4-[(E)-N'-oxidanylcarbamimidoyl]benzoic acid

Systemtic Name: 4-[(E)-N'-oxidanylcarbamimidoyl]benzoic acid Openeye Name: 4-[(E)-N'-hydroxycarbamimidoyl]benzoic acid CAS Name: 4-[(E)-amino(hydroxyimino)methyl]benzoic acid IUPAC Name: 4-[(E)-N'-hydroxycarbamimidoyl]benzoic acid Traditional Name: 4-[(E)-aminocarbohydroximoyl]benzoic acid Formula: C8H8N2O3 MolecularWeight: 180.16072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=NO)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1/C(=N\O)/N)C(=O)O

InChI

InChI=1S/C8H8N2O3/c9-7(10-13)5-1-3-6(4-2-5)8(11)12/h1-4,13H,(H2,9,10)(H,11,12)