4-[(2S)-2-azaniumyl-3-methoxy-3-oxidanylidene-propyl]-2-nitro-phenolate

Systemtic Name: 4-[(2S)-2-azaniumyl-3-methoxy-3-oxidanylidene-propyl]-2-nitro-phenolate Openeye Name: 4-[(2S)-2-azaniumyl-3-methoxy-3-oxo-propyl]-2-nitro-phenolate CAS Name: 4-[(2S)-2-ammonio-3-methoxy-3-oxopropyl]-2-nitrophenolate IUPAC Name: 4-[(2S)-2-azaniumyl-3-methoxy-3-oxopropyl]-2-nitrophenolate Traditional Name: 4-[(2S)-2-ammonio-3-keto-3-methoxy-propyl]-2-nitro-phenolate Formula: C10H12N2O5 MolecularWeight: 240.21268

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC(=C(C=C1)[O-])[N+](=O)[O-])[NH3+]

Isomeric SMILES

COC(=O)[C@H](CC1=CC(=C(C=C1)[O-])[N+](=O)[O-])[NH3+]

InChI

InChI=1S/C10H12N2O5/c1-17-10(14)7(11)4-6-2-3-9(13)8(5-6)12(15)16/h2-3,5,7,13H,4,11H2,1H3/t7-/m0/s1