4-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]-1,2,3,10-tetrahydroacridine-9-carboxylate

Systemtic Name: 4-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]-1,2,3,10-tetrahydroacridine-9-carboxylate Openeye Name: 4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1,2,3,10-tetrahydroacridine-9-carboxylate CAS Name: 4-[(4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-1,2,3,10-tetrahydroacridine-9-carboxylate IUPAC Name: 4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1,2,3,10-tetrahydroacridine-9-carboxylate Traditional Name: 4-[(4-ketocyclohexa-2,5-dien-1-ylidene)methyl]-1,2,3,10-tetrahydroacridine-9-carboxylate Formula: C21H16NO3- MolecularWeight: 330.35664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C2C(=C(C3=CC=CC=C3N2)C(=O)[O-])C1)C=C4C=CC(=O)C=C4

Isomeric SMILES

C1CC(=C2C(=C(C3=CC=CC=C3N2)C(=O)[O-])C1)C=C4C=CC(=O)C=C4

InChI

InChI=1S/C21H17NO3/c23-15-10-8-13(9-11-15)12-14-4-3-6-17-19(21(24)25)16-5-1-2-7-18(16)22-20(14)17/h1-2,5,7-12,22H,3-4,6H2,(H,24,25)/p-1