5-[5-(furan-2-yl)-5-methyl-2-oxidanylidene-1H-4,1-benzoxazepin-7-yl]-1H-pyrrole-2-carbonitrile

Systemtic Name: 5-[5-(furan-2-yl)-5-methyl-2-oxidanylidene-1H-4,1-benzoxazepin-7-yl]-1H-pyrrole-2-carbonitrile Openeye Name: 5-[5-(2-furyl)-5-methyl-2-oxo-1H-4,1-benzoxazepin-7-yl]-1H-pyrrole-2-carbonitrile CAS Name: 5-[5-(2-furanyl)-5-methyl-2-oxo-1H-4,1-benzoxazepin-7-yl]-1H-pyrrole-2-carbonitrile IUPAC Name: 5-[5-(furan-2-yl)-5-methyl-2-oxo-1H-4,1-benzoxazepin-7-yl]-1H-pyrrole-2-carbonitrile Traditional Name: 5-[5-(2-furyl)-2-keto-5-methyl-1H-4,1-benzoxazepin-7-yl]-1H-pyrrole-2-carbonitrile Formula: C19H15N3O3 MolecularWeight: 333.3407

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=CC=C(N3)C#N)NC(=O)CO1)C4=CC=CO4

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=CC=C(N3)C#N)NC(=O)CO1)C4=CC=CO4

InChI

InChI=1S/C19H15N3O3/c1-19(17-3-2-8-24-17)14-9-12(15-7-5-13(10-20)21-15)4-6-16(14)22-18(23)11-25-19/h2-9,21H,11H2,1H3,(H,22,23)