3-cyanopropyl 9,10-bis(oxidanylidene)anthracene-1-carboxylate

Systemtic Name: 3-cyanopropyl 9,10-bis(oxidanylidene)anthracene-1-carboxylate Openeye Name: 3-cyanopropyl 9,10-dioxoanthracene-1-carboxylate CAS Name: 9,10-dioxo-1-anthracenecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 9,10-dioxoanthracene-1-carboxylate Traditional Name: 9,10-diketoanthracene-1-carboxylic acid 3-cyanopropyl ester Formula: C19H13NO4 MolecularWeight: 319.31082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)C(=O)OCCCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)C(=O)OCCCC#N

InChI

InChI=1S/C19H13NO4/c20-10-3-4-11-24-19(23)15-9-5-8-14-16(15)18(22)13-7-2-1-6-12(13)17(14)21/h1-2,5-9H,3-4,11H2