N-[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]pentanamide

Systemtic Name: N-[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]pentanamide Openeye Name: N-[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]pentanamide CAS Name: N-[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]pentanamide IUPAC Name: N-[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]pentanamide Traditional Name: N-[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]valeramide Formula: C18H18N2O3 MolecularWeight: 310.34712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC(=O)C(=C2NC3=CC=CC=C3O2)C=C1

Isomeric SMILES

CCCCC(=O)NC1=CC(=O)/C(=C/2\NC3=CC=CC=C3O2)/C=C1

InChI

InChI=1S/C18H18N2O3/c1-2-3-8-17(22)19-12-9-10-13(15(21)11-12)18-20-14-6-4-5-7-16(14)23-18/h4-7,9-11,20H,2-3,8H2,1H3,(H,19,22)/b18-13+