3-[oxidanyl(phenethyl)carbamoyl]oxirane-2-carboxylic acid

Systemtic Name: 3-[oxidanyl(phenethyl)carbamoyl]oxirane-2-carboxylic acid Openeye Name: 3-[hydroxy(phenethyl)carbamoyl]oxirane-2-carboxylic acid CAS Name: 3-[[hydroxy(phenethyl)amino]-oxomethyl]-2-oxiranecarboxylic acid IUPAC Name: 3-[hydroxy(phenethyl)carbamoyl]oxirane-2-carboxylic acid Traditional Name: 3-[hydroxy(phenethyl)carbamoyl]oxirane-2-carboxylic acid Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(C(=O)C2C(O2)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN(C(=O)C2C(O2)C(=O)O)O

InChI

InChI=1S/C12H13NO5/c14-11(9-10(18-9)12(15)16)13(17)7-6-8-4-2-1-3-5-8/h1-5,9-10,17H,6-7H2,(H,15,16)