(2S)-2-azaniumyl-4-[(4-nitrophenyl)iminomethoxy]butanoate

Systemtic Name: (2S)-2-azaniumyl-4-[(4-nitrophenyl)iminomethoxy]butanoate Openeye Name: (2S)-2-azaniumyl-4-[(4-nitrophenyl)iminomethoxy]butanoate CAS Name: (2S)-2-ammonio-4-[(4-nitrophenyl)iminomethoxy]butanoate IUPAC Name: (2S)-2-azaniumyl-4-[(4-nitrophenyl)iminomethoxy]butanoate Traditional Name: (2S)-2-ammonio-4-[(4-nitrophenyl)iminomethoxy]butyrate Formula: C11H13N3O5 MolecularWeight: 267.23802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=COCCC(C(=O)[O-])[NH3+])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N=COCC[C@@H](C(=O)[O-])[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O5/c12-10(11(15)16)5-6-19-7-13-8-1-3-9(4-2-8)14(17)18/h1-4,7,10H,5-6,12H2,(H,15,16)/t10-/m0/s1