8-chloranyl-3-methoxy-4-(2-phenylethynyl)-1H-1-benzazepine-2,5-dione

Systemtic Name: 8-chloranyl-3-methoxy-4-(2-phenylethynyl)-1H-1-benzazepine-2,5-dione Openeye Name: 8-chloro-3-methoxy-4-(2-phenylethynyl)-1H-1-benzazepine-2,5-dione CAS Name: 8-chloro-3-methoxy-4-(2-phenylethynyl)-1H-1-benzazepine-2,5-dione IUPAC Name: 8-chloro-3-methoxy-4-(2-phenylethynyl)-1H-1-benzazepine-2,5-dione Traditional Name: 8-chloro-3-methoxy-4-(2-phenylethynyl)-1H-1-benzazepine-2,5-quinone Formula: C19H12ClNO3 MolecularWeight: 337.75648

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)C#CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=O)C2=C(C=C(C=C2)Cl)NC1=O)C#CC3=CC=CC=C3

InChI

InChI=1S/C19H12ClNO3/c1-24-18-15(9-7-12-5-3-2-4-6-12)17(22)14-10-8-13(20)11-16(14)21-19(18)23/h2-6,8,10-11H,1H3,(H,21,23)