1-[(1-methylbenzimidazol-2-yl)iminomethyl]-3-nitro-6,7,8,9-tetrahydrodibenzofuran-2-olate

Systemtic Name: 1-[(1-methylbenzimidazol-2-yl)iminomethyl]-3-nitro-6,7,8,9-tetrahydrodibenzofuran-2-olate Openeye Name: 1-[(1-methylbenzimidazol-2-yl)iminomethyl]-3-nitro-6,7,8,9-tetrahydrodibenzofuran-2-olate CAS Name: 1-[(1-methyl-2-benzimidazolyl)iminomethyl]-3-nitro-6,7,8,9-tetrahydrodibenzofuran-2-olate IUPAC Name: 1-[(1-methylbenzimidazol-2-yl)iminomethyl]-3-nitro-6,7,8,9-tetrahydrodibenzofuran-2-olate Traditional Name: 1-[(1-methylbenzimidazol-2-yl)iminomethyl]-3-nitro-6,7,8,9-tetrahydrodibenzofuran-2-olate Formula: C21H17N4O4- MolecularWeight: 389.38408

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1N=CC3=C(C(=CC4=C3C5=C(O4)CCCC5)[N+](=O)[O-])[O-]

Isomeric SMILES

CN1C2=CC=CC=C2N=C1N=CC3=C(C(=CC4=C3C5=C(O4)CCCC5)[N+](=O)[O-])[O-]

InChI

InChI=1S/C21H18N4O4/c1-24-15-8-4-3-7-14(15)23-21(24)22-11-13-19-12-6-2-5-9-17(12)29-18(19)10-16(20(13)26)25(27)28/h3-4,7-8,10-11,26H,2,5-6,9H2,1H3/p-1