4-(2-azanyl-2-oxidanylidene-ethyl)benzoic acid

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethyl)benzoic acid Openeye Name: 4-(2-amino-2-oxo-ethyl)benzoic acid CAS Name: 4-(2-amino-2-oxoethyl)benzoic acid IUPAC Name: 4-(2-amino-2-oxoethyl)benzoic acid Traditional Name: 4-(2-amino-2-keto-ethyl)benzoic acid Formula: C9H9NO3 MolecularWeight: 179.17266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC(=O)N)C(=O)O

InChI

InChI=1S/C9H9NO3/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H2,10,11)(H,12,13)