(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) (3E)-3-(1,3-benzodioxol-5-ylmethylene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate CAS Name: (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate Traditional Name: (3E)-3-piperonylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C27H21N3O5 MolecularWeight: 467.47274

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=C2CCC(=CC3=CC4=C(C=C3)OCO4)C2=NC5=CC=CC=C51

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=C2CC/C(=C\C3=CC4=C(C=C3)OCO4)/C2=NC5=CC=CC=C51

InChI

InChI=1S/C27H21N3O5/c1-15(29)20(12-28)22(31)13-33-27(32)25-18-4-2-3-5-21(18)30-26-17(7-8-19(25)26)10-16-6-9-23-24(11-16)35-14-34-23/h2-6,9-11,20,29H,7-8,13-14H2,1H3/b17-10+,29-15?