[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-[(2R)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]azanium

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl]-[(2R)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]azanium Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl]-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]ammonium CAS Name: [2-(cyclopropylamino)-2-oxoethyl]-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]ammonium IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl]-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]azanium Traditional Name: [2-(cyclopropylamino)-2-keto-ethyl]-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]ammonium Formula: C13H18N3O4+ MolecularWeight: 280.29972

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH2+]CC(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

C1CC1NC(=O)C[NH2+]C[C@@H](C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C13H17N3O4/c17-12(7-14-8-13(18)15-10-3-4-10)9-1-5-11(6-2-9)16(19)20/h1-2,5-6,10,12,14,17H,3-4,7-8H2,(H,15,18)/p+1/t12-/m0/s1