2-[3-[3,4-bis(oxidanyl)phenyl]propanoylamino]benzoic acid

Systemtic Name: 2-[3-[3,4-bis(oxidanyl)phenyl]propanoylamino]benzoic acid Openeye Name: 2-[3-(3,4-dihydroxyphenyl)propanoylamino]benzoic acid CAS Name: 2-[[3-(3,4-dihydroxyphenyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-[3-(3,4-dihydroxyphenyl)propanoylamino]benzoic acid Traditional Name: 2-[3-(3,4-dihydroxyphenyl)propanoylamino]benzoic acid Formula: C16H15NO5 MolecularWeight: 301.294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCC2=CC(=C(C=C2)O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCC2=CC(=C(C=C2)O)O

InChI

InChI=1S/C16H15NO5/c18-13-7-5-10(9-14(13)19)6-8-15(20)17-12-4-2-1-3-11(12)16(21)22/h1-5,7,9,18-19H,6,8H2,(H,17,20)(H,21,22)