4-[4-(1,3-benzodioxol-5-ylcarbonylamino)phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylcarbonylamino)phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(1,3-benzodioxole-5-carbonylamino)phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]phenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-(1,3-benzodioxole-5-carbonylamino)phenyl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[4-(piperonyloylamino)phenyl]butyric acid Formula: C18H15NO6 MolecularWeight: 341.3148

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)CCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)CCC(=O)O

InChI

InChI=1S/C18H15NO6/c20-14(6-8-17(21)22)11-1-4-13(5-2-11)19-18(23)12-3-7-15-16(9-12)25-10-24-15/h1-5,7,9H,6,8,10H2,(H,19,23)(H,21,22)