[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] (4E)-4-(1,3-benzodioxol-5-ylmethylene)-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (4E)-4-piperonylidene-2,3-dihydro-1H-acridine-9-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C27H23N3O5 MolecularWeight: 469.48862

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5C(=C4C1)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1C/C(=C\C2=CC3=C(C=C2)OCO3)/C4=NC5=CC=CC=C5C(=C4C1)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C27H23N3O5/c28-11-4-12-29-24(31)15-33-27(32)25-19-6-1-2-8-21(19)30-26-18(5-3-7-20(25)26)13-17-9-10-22-23(14-17)35-16-34-22/h1-2,6,8-10,13-14H,3-5,7,12,15-16H2,(H,29,31)/b18-13+