2-(1H-1,2-benzodiazepin-3-ylamino)-3-oxidanylidene-butanal

Systemtic Name: 2-(1H-1,2-benzodiazepin-3-ylamino)-3-oxidanylidene-butanal Openeye Name: 2-(1H-1,2-benzodiazepin-3-ylamino)-3-oxo-butanal CAS Name: 2-(1H-1,2-benzodiazepin-3-ylamino)-3-oxobutanal IUPAC Name: 2-(1H-1,2-benzodiazepin-3-ylamino)-3-oxobutanal Traditional Name: 2-(1H-1,2-benzodiazepin-3-ylamino)-3-keto-butyraldehyde Formula: C13H13N3O2 MolecularWeight: 243.26122

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C=O)NC1=NNC2=CC=CC=C2C=C1

Isomeric SMILES

CC(=O)C(C=O)NC1=NNC2=CC=CC=C2C=C1

InChI

InChI=1S/C13H13N3O2/c1-9(18)12(8-17)14-13-7-6-10-4-2-3-5-11(10)15-16-13/h2-8,12,15H,1H3,(H,14,16)