2-[4-[8-chloranyl-3-methoxy-2,5-bis(oxidanylidene)-1H-1-benzazepin-4-yl]phenyl]ethanenitrile

Systemtic Name: 2-[4-[8-chloranyl-3-methoxy-2,5-bis(oxidanylidene)-1H-1-benzazepin-4-yl]phenyl]ethanenitrile Openeye Name: 2-[4-(8-chloro-3-methoxy-2,5-dioxo-1H-1-benzazepin-4-yl)phenyl]acetonitrile CAS Name: 2-[4-(8-chloro-3-methoxy-2,5-dioxo-1H-1-benzazepin-4-yl)phenyl]acetonitrile IUPAC Name: 2-[4-(8-chloro-3-methoxy-2,5-dioxo-1H-1-benzazepin-4-yl)phenyl]acetonitrile Traditional Name: 2-[4-(8-chloro-2,5-diketo-3-methoxy-1H-1-benzazepin-4-yl)phenyl]acetonitrile Formula: C19H13ClN2O3 MolecularWeight: 352.77112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)C2=C(C=C(C=C2)Cl)NC1=O)C3=CC=C(C=C3)CC#N

Isomeric SMILES

COC1=C(C(=O)C2=C(C=C(C=C2)Cl)NC1=O)C3=CC=C(C=C3)CC#N

InChI

InChI=1S/C19H13ClN2O3/c1-25-18-16(12-4-2-11(3-5-12)8-9-21)17(23)14-7-6-13(20)10-15(14)22-19(18)24/h2-7,10H,8H2,1H3,(H,22,24)