butyl (2Z)-2-nitro-2-(5-nitro-1,3-dihydrobenzimidazol-2-ylidene)ethanoate

Systemtic Name: butyl (2Z)-2-nitro-2-(5-nitro-1,3-dihydrobenzimidazol-2-ylidene)ethanoate Openeye Name: butyl (2Z)-2-nitro-2-(5-nitro-1,3-dihydrobenzimidazol-2-ylidene)acetate CAS Name: (2Z)-2-nitro-2-(5-nitro-1,3-dihydrobenzimidazol-2-ylidene)acetic acid butyl ester IUPAC Name: butyl (2Z)-2-nitro-2-(5-nitro-1,3-dihydrobenzimidazol-2-ylidene)acetate Traditional Name: (2Z)-2-nitro-2-(5-nitro-1,3-dihydrobenzimidazol-2-ylidene)acetic acid butyl ester Formula: C13H14N4O6 MolecularWeight: 322.27346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(=C1NC2=C(N1)C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)/C(=C/1\NC2=C(N1)C=C(C=C2)[N+](=O)[O-])/[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O6/c1-2-3-6-23-13(18)11(17(21)22)12-14-9-5-4-8(16(19)20)7-10(9)15-12/h4-5,7,14-15H,2-3,6H2,1H3/b12-11-