3-[[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]azepan-2-one

Systemtic Name: 3-[[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]azepan-2-one Openeye Name: 3-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]azepan-2-one CAS Name: 3-[[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]-2-azepanone IUPAC Name: 3-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]azepan-2-one Traditional Name: 3-[[(E)-(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]amino]azepan-2-one Formula: C13H16N2O2 MolecularWeight: 232.27834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC=C2C=CC=CC2=O

Isomeric SMILES

C1CCNC(=O)C(C1)N/C=C/2\C=CC=CC2=O

InChI

InChI=1S/C13H16N2O2/c16-12-7-2-1-5-10(12)9-15-11-6-3-4-8-14-13(11)17/h1-2,5,7,9,11,15H,3-4,6,8H2,(H,14,17)/b10-9+