2-azanyl-3-[(5-bromanyl-2-oxidanylidene-indol-3-yl)amino]but-2-enedinitrile

Systemtic Name: 2-azanyl-3-[(5-bromanyl-2-oxidanylidene-indol-3-yl)amino]but-2-enedinitrile Openeye Name: 2-amino-3-[(5-bromo-2-oxo-indol-3-yl)amino]but-2-enedinitrile CAS Name: 2-amino-3-[(5-bromo-2-oxo-3-indolyl)amino]-2-butenedinitrile IUPAC Name: 2-amino-3-[(5-bromo-2-oxoindol-3-yl)amino]but-2-enedinitrile Traditional Name: 2-amino-3-[(5-bromo-2-keto-indol-3-yl)amino]but-2-enedinitrile Formula: C12H6BrN5O MolecularWeight: 316.11294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=O)C(=C2C=C1Br)NC(=C(C#N)N)C#N

Isomeric SMILES

C1=CC2=NC(=O)C(=C2C=C1Br)NC(=C(C#N)N)C#N

InChI

InChI=1S/C12H6BrN5O/c13-6-1-2-9-7(3-6)11(12(19)18-9)17-10(5-15)8(16)4-14/h1-3H,16H2,(H,17,18,19)