(2R)-3-(1H-imidazol-5-yl)-2-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]propanoic acid

Systemtic Name: (2R)-3-(1H-imidazol-5-yl)-2-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]propanoic acid Openeye Name: (2R)-3-(1H-imidazol-5-yl)-2-[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]propanoic acid CAS Name: (2R)-3-(1H-imidazol-5-yl)-2-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]propanoic acid IUPAC Name: (2R)-3-(1H-imidazol-5-yl)-2-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propanoic acid Traditional Name: (2R)-3-(1H-imidazol-5-yl)-2-[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]propionic acid Formula: C13H12N4O5 MolecularWeight: 304.25818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O5/c18-12-2-1-10(17(21)22)3-8(12)5-15-11(13(19)20)4-9-6-14-7-16-9/h1-3,5-7,11,15H,4H2,(H,14,16)(H,19,20)/t11-/m1/s1