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

Systemtic Name: (4E)-4-[4-(1,3-benzodioxol-5-ylcarbonylamino)phenyl]-4-hydroxyimino-butanoic acid Openeye Name: (4E)-4-[4-(1,3-benzodioxole-5-carbonylamino)phenyl]-4-hydroxyimino-butanoic acid CAS Name: (4E)-4-[4-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]phenyl]-4-hydroxyiminobutanoic acid IUPAC Name: (4E)-4-[4-(1,3-benzodioxole-5-carbonylamino)phenyl]-4-hydroxyiminobutanoic acid Traditional Name: (4E)-4-hydroximino-4-[4-(piperonyloylamino)phenyl]butyric acid Formula: C18H16N2O6 MolecularWeight: 356.32944

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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(=NO)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O6/c21-17(22)8-6-14(20-24)11-1-4-13(5-2-11)19-18(23)12-3-7-15-16(9-12)26-10-25-15/h1-5,7,9,24H,6,8,10H2,(H,19,23)(H,21,22)/b20-14+