3-[(3-azanyl-4-bromanyl-2-oxidanylidene-3H-indol-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(3-azanyl-4-bromanyl-2-oxidanylidene-3H-indol-1-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(3-amino-4-bromo-2-oxo-indolin-1-yl)methyl]benzonitrile CAS Name: 3-[(3-amino-4-bromo-2-oxo-3H-indol-1-yl)methyl]benzonitrile IUPAC Name: 3-[(3-amino-4-bromo-2-oxo-3H-indol-1-yl)methyl]benzonitrile Traditional Name: 3-[(3-amino-4-bromo-2-keto-indolin-1-yl)methyl]benzonitrile Formula: C16H12BrN3O MolecularWeight: 342.18998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C3=C(C(C2=O)N)C(=CC=C3)Br)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CN2C3=C(C(C2=O)N)C(=CC=C3)Br)C#N

InChI

InChI=1S/C16H12BrN3O/c17-12-5-2-6-13-14(12)15(19)16(21)20(13)9-11-4-1-3-10(7-11)8-18/h1-7,15H,9,19H2