3-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-4-methyl-benzoic acid

Systemtic Name: 3-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-4-methyl-benzoic acid Openeye Name: 3-(2-amino-3-hydroxy-3-oxo-propyl)-4-methyl-benzoic acid CAS Name: 3-(2-amino-3-hydroxy-3-oxopropyl)-4-methylbenzoic acid IUPAC Name: 3-(2-amino-3-hydroxy-3-oxopropyl)-4-methylbenzoic acid Traditional Name: 3-(2-amino-3-hydroxy-3-keto-propyl)-4-methyl-benzoic acid Formula: C11H13NO4 MolecularWeight: 223.22522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)CC(C(=O)O)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)CC(C(=O)O)N

InChI

InChI=1S/C11H13NO4/c1-6-2-3-7(10(13)14)4-8(6)5-9(12)11(15)16/h2-4,9H,5,12H2,1H3,(H,13,14)(H,15,16)