[(3S)-3-(ethoxycarbonylamino)-2-oxidanylidene-4-phenyl-butyl]azaniumylideneazanide

Systemtic Name: [(3S)-3-(ethoxycarbonylamino)-2-oxidanylidene-4-phenyl-butyl]azaniumylideneazanide Openeye Name: [(3S)-3-(ethoxycarbonylamino)-2-oxo-4-phenyl-butyl]iminioazanide CAS Name: [(3S)-3-(ethoxycarbonylamino)-2-oxo-4-phenylbutyl]iminioazanide IUPAC Name: [(3S)-3-(ethoxycarbonylamino)-2-oxo-4-phenylbutyl]azaniumylideneazanide Traditional Name: [(3S)-3-(carbethoxyamino)-2-keto-4-phenyl-butyl]iminioazanide Formula: C13H17N3O3 MolecularWeight: 263.29238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(CC1=CC=CC=C1)C(=O)C[NH+]=[N-]

Isomeric SMILES

CCOC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)C[NH+]=[N-]

InChI

InChI=1S/C13H17N3O3/c1-2-19-13(18)16-11(12(17)9-15-14)8-10-6-4-3-5-7-10/h3-7,11,15H,2,8-9H2,1H3,(H,16,18)/t11-/m0/s1