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

Systemtic Name: 4-[(2S)-2-azaniumyl-3-ethoxy-3-oxidanylidene-propyl]-2-nitro-phenolate Openeye Name: 4-[(2S)-2-azaniumyl-3-ethoxy-3-oxo-propyl]-2-nitro-phenolate CAS Name: 4-[(2S)-2-ammonio-3-ethoxy-3-oxopropyl]-2-nitrophenolate IUPAC Name: 4-[(2S)-2-azaniumyl-3-ethoxy-3-oxopropyl]-2-nitrophenolate Traditional Name: 4-[(2S)-2-ammonio-3-ethoxy-3-keto-propyl]-2-nitro-phenolate Formula: C11H14N2O5 MolecularWeight: 254.23926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O5/c1-2-18-11(15)8(12)5-7-3-4-10(14)9(6-7)13(16)17/h3-4,6,8,14H,2,5,12H2,1H3/t8-/m0/s1