[(2S)-2-cyano-3-(ethoxycarbonylamino)-3-oxidanylidene-propylidene]-[(1S)-2-oxidanyl-1-phenyl-ethyl]azanium

Systemtic Name: [(2S)-2-cyano-3-(ethoxycarbonylamino)-3-oxidanylidene-propylidene]-[(1S)-2-oxidanyl-1-phenyl-ethyl]azanium Openeye Name: [(2S)-2-cyano-3-(ethoxycarbonylamino)-3-oxo-propylidene]-[(1S)-2-hydroxy-1-phenyl-ethyl]ammonium CAS Name: [(2S)-2-cyano-3-(ethoxycarbonylamino)-3-oxopropylidene]-[(1S)-2-hydroxy-1-phenylethyl]ammonium IUPAC Name: [(2S)-2-cyano-3-(ethoxycarbonylamino)-3-oxopropylidene]-[(1S)-2-hydroxy-1-phenylethyl]azanium Traditional Name: [(2S)-3-(carbethoxyamino)-2-cyano-3-keto-propylidene]-[(1S)-2-hydroxy-1-phenyl-ethyl]ammonium Formula: C15H18N3O4+ MolecularWeight: 304.32112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)C(C=[NH+]C(CO)C1=CC=CC=C1)C#N

Isomeric SMILES

CCOC(=O)NC(=O)[C@@H](C=[NH+][C@H](CO)C1=CC=CC=C1)C#N

InChI

InChI=1S/C15H17N3O4/c1-2-22-15(21)18-14(20)12(8-16)9-17-13(10-19)11-6-4-3-5-7-11/h3-7,9,12-13,19H,2,10H2,1H3,(H,18,20,21)/p+1/t12-,13-/m1/s1