3-(8-iodanyl-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl)benzenecarbonitrile

Systemtic Name: 3-(8-iodanyl-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl)benzenecarbonitrile Openeye Name: 3-(8-iodo-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl)benzonitrile CAS Name: 3-(8-iodo-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl)benzonitrile IUPAC Name: 3-(8-iodo-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl)benzonitrile Traditional Name: 3-(8-iodo-2-keto-1,3-dihydro-1,5-benzodiazepin-4-yl)benzonitrile Formula: C16H10IN3O MolecularWeight: 387.17457

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)I)NC1=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)I)NC1=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C16H10IN3O/c17-12-4-5-13-15(7-12)20-16(21)8-14(19-13)11-3-1-2-10(6-11)9-18/h1-7H,8H2,(H,20,21)