phenyl (3Z)-3-(3-methyl-4-nitro-1H-imidazol-2-ylidene)-3-nitroso-2-oxidanylidene-propanoate

Systemtic Name: phenyl (3Z)-3-(3-methyl-4-nitro-1H-imidazol-2-ylidene)-3-nitroso-2-oxidanylidene-propanoate Openeye Name: phenyl (3Z)-3-(3-methyl-4-nitro-1H-imidazol-2-ylidene)-3-nitroso-2-oxo-propanoate CAS Name: (3Z)-3-(3-methyl-4-nitro-1H-imidazol-2-ylidene)-3-nitroso-2-oxopropanoic acid phenyl ester IUPAC Name: phenyl (3Z)-3-(3-methyl-4-nitro-1H-imidazol-2-ylidene)-3-nitroso-2-oxopropanoate Traditional Name: (3Z)-2-keto-3-(1-methyl-5-nitro-4-imidazolin-2-ylidene)-3-nitroso-propionic acid phenyl ester Formula: C13H10N4O6 MolecularWeight: 318.2417

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CNC1=C(C(=O)C(=O)OC2=CC=CC=C2)N=O)[N+](=O)[O-]

Isomeric SMILES

CN\1C(=CN/C1=C(\C(=O)C(=O)OC2=CC=CC=C2)/N=O)[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O6/c1-16-9(17(21)22)7-14-12(16)10(15-20)11(18)13(19)23-8-5-3-2-4-6-8/h2-7,14H,1H3/b12-10-