2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)but-2-enoylamino]-5-oxidanyl-benzoic acid

Systemtic Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)but-2-enoylamino]-5-oxidanyl-benzoic acid Openeye Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)but-2-enoylamino]-5-hydroxy-benzoic acid CAS Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxobut-2-enyl]amino]-5-hydroxybenzoic acid IUPAC Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)but-2-enoylamino]-5-hydroxybenzoic acid Traditional Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)but-2-enoylamino]-5-hydroxy-benzoic acid Formula: C19H17NO6 MolecularWeight: 355.34138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=C(C=C1)O)C(=O)O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(=CC(=O)NC1=C(C=C(C=C1)O)C(=O)O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C19H17NO6/c1-11(12-2-5-16-17(9-12)26-7-6-25-16)8-18(22)20-15-4-3-13(21)10-14(15)19(23)24/h2-5,8-10,21H,6-7H2,1H3,(H,20,22)(H,23,24)