4-[(2S)-2-(acetyloxyamino)-3-ethoxy-3-oxidanylidene-propyl]-2,6-dinitro-phenolate

Systemtic Name: 4-[(2S)-2-(acetyloxyamino)-3-ethoxy-3-oxidanylidene-propyl]-2,6-dinitro-phenolate Openeye Name: 4-[(2S)-2-(acetoxyamino)-3-ethoxy-3-oxo-propyl]-2,6-dinitro-phenolate CAS Name: 4-[(2S)-2-(acetyloxyamino)-3-ethoxy-3-oxopropyl]-2,6-dinitrophenolate IUPAC Name: 4-[(2S)-2-(acetyloxyamino)-3-ethoxy-3-oxopropyl]-2,6-dinitrophenolate Traditional Name: 4-[(2S)-2-(acetoxyamino)-3-ethoxy-3-keto-propyl]-2,6-dinitro-phenolate Formula: C13H14N3O9- MolecularWeight: 356.26496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O9/c1-3-24-13(19)9(14-25-7(2)17)4-8-5-10(15(20)21)12(18)11(6-8)16(22)23/h5-6,9,14,18H,3-4H2,1-2H3/p-1/t9-/m0/s1