[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] anthracene-9-carboxylate

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] anthracene-9-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] anthracene-9-carboxylate CAS Name: 9-anthracenecarboxylic acid [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] anthracene-9-carboxylate Traditional Name: anthracene-9-carboxylic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C26H21NO5 MolecularWeight: 427.44864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53

InChI

InChI=1S/C26H21NO5/c1-16(25(28)27-14-17-10-11-22-23(12-17)31-15-30-22)32-26(29)24-20-8-4-2-6-18(20)13-19-7-3-5-9-21(19)24/h2-13,16H,14-15H2,1H3,(H,27,28)