(2S)-5-azanyl-2-butyl-3-oxidanylidene-1,2-dihydropyrrole-4-carbonitrile

Systemtic Name: (2S)-5-azanyl-2-butyl-3-oxidanylidene-1,2-dihydropyrrole-4-carbonitrile Openeye Name: (2S)-5-amino-2-butyl-3-oxo-1,2-dihydropyrrole-4-carbonitrile CAS Name: (2S)-5-amino-2-butyl-3-oxo-1,2-dihydropyrrole-4-carbonitrile IUPAC Name: (2S)-5-amino-2-butyl-3-oxo-1,2-dihydropyrrole-4-carbonitrile Traditional Name: (5S)-2-amino-5-butyl-4-keto-2-pyrroline-3-carbonitrile Formula: C9H13N3O MolecularWeight: 179.21902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)C(=C(N1)N)C#N

Isomeric SMILES

CCCC[C@H]1C(=O)C(=C(N1)N)C#N

InChI

InChI=1S/C9H13N3O/c1-2-3-4-7-8(13)6(5-10)9(11)12-7/h7,12H,2-4,11H2,1H3/t7-/m0/s1