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

Systemtic Name: propyl (2Z)-2-nitro-2-(5-nitro-1,3-dihydrobenzimidazol-2-ylidene)ethanoate Openeye Name: propyl (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 propyl ester IUPAC Name: propyl (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 propyl ester Formula: C12H12N4O6 MolecularWeight: 308.24688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4O6/c1-2-5-22-12(17)10(16(20)21)11-13-8-4-3-7(15(18)19)6-9(8)14-11/h3-4,6,13-14H,2,5H2,1H3/b11-10-