3-(3-azanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)benzoic acid

Systemtic Name: 3-(3-azanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)benzoic acid Openeye Name: 3-[1-(aminomethyl)-2-hydroxy-2-oxo-ethyl]benzoic acid CAS Name: 3-(3-amino-1-hydroxy-1-oxopropan-2-yl)benzoic acid IUPAC Name: 3-(3-amino-1-hydroxy-1-oxopropan-2-yl)benzoic acid Traditional Name: 3-[1-(aminomethyl)-2-hydroxy-2-keto-ethyl]benzoic acid Formula: C10H11NO4 MolecularWeight: 209.19864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(CN)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(CN)C(=O)O)C(=O)O

InChI

InChI=1S/C10H11NO4/c11-5-8(10(14)15)6-2-1-3-7(4-6)9(12)13/h1-4,8H,5,11H2,(H,12,13)(H,14,15)