(3E)-1-(3,3-dimethyl-2-oxidanylidene-butyl)-3-hydroxyimino-5-phenyl-1,4-benzodiazepin-2-one

Systemtic Name: (3E)-1-(3,3-dimethyl-2-oxidanylidene-butyl)-3-hydroxyimino-5-phenyl-1,4-benzodiazepin-2-one Openeye Name: (3E)-1-(3,3-dimethyl-2-oxo-butyl)-3-hydroxyimino-5-phenyl-1,4-benzodiazepin-2-one CAS Name: (3E)-1-(3,3-dimethyl-2-oxobutyl)-3-hydroxyimino-5-phenyl-1,4-benzodiazepin-2-one IUPAC Name: (3E)-1-(3,3-dimethyl-2-oxobutyl)-3-hydroxyimino-5-phenyl-1,4-benzodiazepin-2-one Traditional Name: (3E)-3-hydroximino-1-(2-keto-3,3-dimethyl-butyl)-5-phenyl-1,4-benzodiazepin-2-one Formula: C21H21N3O3 MolecularWeight: 363.40974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=NC(=NO)C1=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=N/C(=N/O)/C1=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3/c1-21(2,3)17(25)13-24-16-12-8-7-11-15(16)18(14-9-5-4-6-10-14)22-19(23-27)20(24)26/h4-12,27H,13H2,1-3H3/b23-19+