(3E,5E)-3,5-bis(1,3-benzodioxol-5-ylmethylidene)piperidin-4-one; ethanoic acid

Systemtic Name: (3E,5E)-3,5-bis(1,3-benzodioxol-5-ylmethylidene)piperidin-4-one; ethanoic acid Openeye Name: acetic acid; (3E,5E)-3,5-bis(1,3-benzodioxol-5-ylmethylene)piperidin-4-one CAS Name: acetic acid; (3E,5E)-3,5-bis(1,3-benzodioxol-5-ylmethylidene)-4-piperidinone IUPAC Name: acetic acid; (3E,5E)-3,5-bis(1,3-benzodioxol-5-ylmethylidene)piperidin-4-one Traditional Name: acetic acid; (3E,5E)-3,5-dipiperonylidene-4-piperidone Formula: C23H21NO7 MolecularWeight: 423.41534

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1C(=CC2=CC3=C(C=C2)OCO3)C(=O)C(=CC4=CC5=C(C=C4)OCO5)CN1

Isomeric SMILES

CC(=O)O.C\1NC/C(=C\C2=CC3=C(OCO3)C=C2)/C(=O)/C1=C/C4=CC5=C(OCO5)C=C4

InChI

InChI=1S/C21H17NO5.C2H4O2/c23-21-15(5-13-1-3-17-19(7-13)26-11-24-17)9-22-10-16(21)6-14-2-4-18-20(8-14)27-12-25-18;1-2(3)4/h1-8,22H,9-12H2;1H3,(H,3,4)/b15-5+,16-6+;