ethyl (2S)-2-[[5-[(E)-2-nitroethenyl]-2-oxidanyl-phenyl]carbonylamino]propanoate

Systemtic Name: ethyl (2S)-2-[[5-[(E)-2-nitroethenyl]-2-oxidanyl-phenyl]carbonylamino]propanoate Openeye Name: ethyl (2S)-2-[[2-hydroxy-5-[(E)-2-nitrovinyl]benzoyl]amino]propanoate CAS Name: (2S)-2-[[[2-hydroxy-5-[(E)-2-nitroethenyl]phenyl]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[2-hydroxy-5-[(E)-2-nitroethenyl]benzoyl]amino]propanoate Traditional Name: (2S)-2-[[2-hydroxy-5-[(E)-2-nitrovinyl]benzoyl]amino]propionic acid ethyl ester Formula: C14H16N2O6 MolecularWeight: 308.28664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@H](C)NC(=O)C1=C(C=CC(=C1)/C=C/[N+](=O)[O-])O

InChI

InChI=1S/C14H16N2O6/c1-3-22-14(19)9(2)15-13(18)11-8-10(4-5-12(11)17)6-7-16(20)21/h4-9,17H,3H2,1-2H3,(H,15,18)/b7-6+/t9-/m0/s1