[(1Z)-3-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-1-(phenylmethylidene)inden-4-yl] ethaneperoxoate

Systemtic Name: [(1Z)-3-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-1-(phenylmethylidene)inden-4-yl] ethaneperoxoate Openeye Name: [(1Z)-3-(2-amino-2-oxo-ethyl)-1-benzylidene-2-ethyl-inden-4-yl] peroxyacetate CAS Name: ethaneperoxoic acid [(1Z)-3-(2-amino-2-oxoethyl)-2-ethyl-1-(phenylmethylene)-4-indenyl] ester IUPAC Name: [(1Z)-3-(2-amino-2-oxoethyl)-1-benzylidene-2-ethylinden-4-yl] ethaneperoxoate Traditional Name: peracetic acid [(1Z)-3-(2-amino-2-keto-ethyl)-1-benzal-2-ethyl-inden-4-yl] ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C1=CC3=CC=CC=C3)C=CC=C2OOC(=O)C)CC(=O)N

Isomeric SMILES

CCC\1=C(C2=C(/C1=C\C3=CC=CC=C3)C=CC=C2OOC(=O)C)CC(=O)N

InChI

InChI=1S/C22H21NO4/c1-3-16-18(12-15-8-5-4-6-9-15)17-10-7-11-20(27-26-14(2)24)22(17)19(16)13-21(23)25/h4-12H,3,13H2,1-2H3,(H2,23,25)/b18-12-