2-[[4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)phenyl]carbamoyl]prop-2-enoic acid

Systemtic Name: 2-[[4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)phenyl]carbamoyl]prop-2-enoic acid Openeye Name: 2-[[4-(2-hydroxy-1-methyl-2-oxo-ethyl)phenyl]carbamoyl]prop-2-enoic acid CAS Name: 2-[[4-(1-hydroxy-1-oxopropan-2-yl)anilino]-oxomethyl]-2-propenoic acid IUPAC Name: 2-[[4-(1-hydroxy-1-oxopropan-2-yl)phenyl]carbamoyl]prop-2-enoic acid Traditional Name: 2-[[4-(2-hydroxy-2-keto-1-methyl-ethyl)phenyl]carbamoyl]acrylic acid Formula: C13H13NO5 MolecularWeight: 263.24602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)NC(=O)C(=C)C(=O)O)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)NC(=O)C(=C)C(=O)O)C(=O)O

InChI

InChI=1S/C13H13NO5/c1-7(12(16)17)9-3-5-10(6-4-9)14-11(15)8(2)13(18)19/h3-7H,2H2,1H3,(H,14,15)(H,16,17)(H,18,19)