ethyl (2S)-2-(acetyloxyamino)-3-(3,5-dinitro-4-oxidanyl-phenyl)propanoate

Systemtic Name: ethyl (2S)-2-(acetyloxyamino)-3-(3,5-dinitro-4-oxidanyl-phenyl)propanoate Openeye Name: ethyl (2S)-2-(acetoxyamino)-3-(4-hydroxy-3,5-dinitro-phenyl)propanoate CAS Name: (2S)-2-(acetyloxyamino)-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-(acetyloxyamino)-3-(4-hydroxy-3,5-dinitrophenyl)propanoate Traditional Name: (2S)-2-(acetoxyamino)-3-(4-hydroxy-3,5-dinitro-phenyl)propionic acid ethyl ester Formula: C13H15N3O9 MolecularWeight: 357.2729

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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/t9-/m0/s1