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

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] anthracene-9-carboxylate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] anthracene-9-carboxylate CAS Name: 9-anthracenecarboxylic acid [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] anthracene-9-carboxylate Traditional Name: anthracene-9-carboxylic acid [(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C25H19NO5 MolecularWeight: 413.42206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53

InChI

InChI=1S/C25H19NO5/c1-15(24(27)26-18-10-11-21-22(13-18)30-14-29-21)31-25(28)23-19-8-4-2-6-16(19)12-17-7-3-5-9-20(17)23/h2-13,15H,14H2,1H3,(H,26,27)/t15-/m1/s1