4-(1-azanyl-1-cyclopropyl-2-oxidanyl-2-oxidanylidene-ethyl)benzoic acid

Systemtic Name: 4-(1-azanyl-1-cyclopropyl-2-oxidanyl-2-oxidanylidene-ethyl)benzoic acid Openeye Name: 4-(1-amino-1-cyclopropyl-2-hydroxy-2-oxo-ethyl)benzoic acid CAS Name: 4-(1-amino-1-cyclopropyl-2-hydroxy-2-oxoethyl)benzoic acid IUPAC Name: 4-(1-amino-1-cyclopropyl-2-hydroxy-2-oxoethyl)benzoic acid Traditional Name: 4-(1-amino-1-cyclopropyl-2-hydroxy-2-keto-ethyl)benzoic acid Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(C2=CC=C(C=C2)C(=O)O)(C(=O)O)N

Isomeric SMILES

C1CC1C(C2=CC=C(C=C2)C(=O)O)(C(=O)O)N

InChI

InChI=1S/C12H13NO4/c13-12(11(16)17,9-5-6-9)8-3-1-7(2-4-8)10(14)15/h1-4,9H,5-6,13H2,(H,14,15)(H,16,17)