[8-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)-5,6-bis(oxidanylidene)naphthalen-2-yl] benzoate

Systemtic Name: [8-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)-5,6-bis(oxidanylidene)naphthalen-2-yl] benzoate Openeye Name: [8-(1-cyano-2-ethoxy-2-oxo-ethyl)-5,6-dioxo-2-naphthyl] benzoate CAS Name: benzoic acid [8-(1-cyano-2-ethoxy-2-oxoethyl)-5,6-dioxo-2-naphthalenyl] ester IUPAC Name: [8-(1-cyano-2-ethoxy-2-oxoethyl)-5,6-dioxonaphthalen-2-yl] benzoate Traditional Name: benzoic acid [8-(1-cyano-2-ethoxy-2-keto-ethyl)-5,6-diketo-2-naphthyl] ester Formula: C22H15NO6 MolecularWeight: 389.3576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1=CC(=O)C(=O)C2=C1C=C(C=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C#N)C1=CC(=O)C(=O)C2=C1C=C(C=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H15NO6/c1-2-28-22(27)18(12-23)17-11-19(24)20(25)15-9-8-14(10-16(15)17)29-21(26)13-6-4-3-5-7-13/h3-11,18H,2H2,1H3