(phenylmethyl) 2-[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]-3-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) 2-[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]-3-oxidanylidene-butanoate Openeye Name: benzyl 2-(3-chloro-1,4-dioxo-2-naphthyl)-3-oxo-butanoate CAS Name: 2-(3-chloro-1,4-dioxo-2-naphthalenyl)-3-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-chloro-1,4-dioxonaphthalen-2-yl)-3-oxobutanoate Traditional Name: 2-(3-chloro-1,4-diketo-2-naphthyl)-3-keto-butyric acid benzyl ester Formula: C21H15ClO5 MolecularWeight: 382.7938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=C(C(=O)C2=CC=CC=C2C1=O)Cl)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)C(C1=C(C(=O)C2=CC=CC=C2C1=O)Cl)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H15ClO5/c1-12(23)16(21(26)27-11-13-7-3-2-4-8-13)17-18(22)20(25)15-10-6-5-9-14(15)19(17)24/h2-10,16H,11H2,1H3