(2S)-3-(1H-imidazol-5-yl)-2-[(3-nitro-2-oxidanidyl-phenyl)methylideneamino]propanoate

Systemtic Name: (2S)-3-(1H-imidazol-5-yl)-2-[(3-nitro-2-oxidanidyl-phenyl)methylideneamino]propanoate Openeye Name: (2S)-3-(1H-imidazol-5-yl)-2-[(3-nitro-2-oxido-phenyl)methyleneamino]propanoate CAS Name: (2S)-3-(1H-imidazol-5-yl)-2-[(3-nitro-2-oxidophenyl)methylideneamino]propanoate IUPAC Name: (2S)-3-(1H-imidazol-5-yl)-2-[(3-nitro-2-oxidophenyl)methylideneamino]propanoate Traditional Name: (2S)-3-(1H-imidazol-5-yl)-2-[(3-nitro-2-oxido-benzylidene)amino]propionate Formula: C13H10N4O5-2 MolecularWeight: 302.2423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)[N+](=O)[O-])[O-])C=NC(CC2=CN=CN2)C(=O)[O-]

Isomeric SMILES

C1=CC(=C(C(=C1)[N+](=O)[O-])[O-])C=N[C@@H](CC2=CN=CN2)C(=O)[O-]

InChI

InChI=1S/C13H12N4O5/c18-12-8(2-1-3-11(12)17(21)22)5-15-10(13(19)20)4-9-6-14-7-16-9/h1-3,5-7,10,18H,4H2,(H,14,16)(H,19,20)/p-2/t10-/m0/s1