3-(6-bromanyl-8-methoxy-7-oxidanyl-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-5-yl)benzenecarbonitrile

Systemtic Name: 3-(6-bromanyl-8-methoxy-7-oxidanyl-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-5-yl)benzenecarbonitrile Openeye Name: 3-(6-bromo-7-hydroxy-8-methoxy-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)benzonitrile CAS Name: 3-(6-bromo-7-hydroxy-8-methoxy-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)benzonitrile IUPAC Name: 3-(6-bromo-7-hydroxy-8-methoxy-2-oxo-1,3-dihydro-1,4-benzodiazepin-5-yl)benzonitrile Traditional Name: 3-(6-bromo-7-hydroxy-2-keto-8-methoxy-1,3-dihydro-1,4-benzodiazepin-5-yl)benzonitrile Formula: C17H12BrN3O3 MolecularWeight: 386.19948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)NC(=O)CN=C2C3=CC=CC(=C3)C#N)Br)O

Isomeric SMILES

COC1=C(C(=C2C(=C1)NC(=O)CN=C2C3=CC=CC(=C3)C#N)Br)O

InChI

InChI=1S/C17H12BrN3O3/c1-24-12-6-11-14(15(18)17(12)23)16(20-8-13(22)21-11)10-4-2-3-9(5-10)7-19/h2-6,23H,8H2,1H3,(H,21,22)