4-[5-[(1-azanyl-3-oxidanylidene-propan-2-yl)amino]-4,5-dihydro-1,2-oxazol-3-yl]benzenecarbonitrile

Systemtic Name: 4-[5-[(1-azanyl-3-oxidanylidene-propan-2-yl)amino]-4,5-dihydro-1,2-oxazol-3-yl]benzenecarbonitrile Openeye Name: 4-[5-[[1-(aminomethyl)-2-oxo-ethyl]amino]-4,5-dihydroisoxazol-3-yl]benzonitrile CAS Name: 4-[5-[(1-amino-3-oxopropan-2-yl)amino]-4,5-dihydroisoxazol-3-yl]benzonitrile IUPAC Name: 4-[5-[(1-amino-3-oxopropan-2-yl)amino]-4,5-dihydro-1,2-oxazol-3-yl]benzonitrile Traditional Name: 4-[5-[[1-(aminomethyl)-2-keto-ethyl]amino]-2-isoxazolin-3-yl]benzonitrile Formula: C13H14N4O2 MolecularWeight: 258.27586

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1C2=CC=C(C=C2)C#N)NC(CN)C=O

Isomeric SMILES

C1C(ON=C1C2=CC=C(C=C2)C#N)NC(CN)C=O

InChI

InChI=1S/C13H14N4O2/c14-6-9-1-3-10(4-2-9)12-5-13(19-17-12)16-11(7-15)8-18/h1-4,8,11,13,16H,5,7,15H2