(3E)-6-hexyl-3-(5-nitro-1,3-dihydrobenzimidazol-2-ylidene)chromene-2,7-dione

Systemtic Name: (3E)-6-hexyl-3-(5-nitro-1,3-dihydrobenzimidazol-2-ylidene)chromene-2,7-dione Openeye Name: (3E)-6-hexyl-3-(5-nitro-1,3-dihydrobenzimidazol-2-ylidene)chromene-2,7-dione CAS Name: (3E)-6-hexyl-3-(5-nitro-1,3-dihydrobenzimidazol-2-ylidene)-1-benzopyran-2,7-dione IUPAC Name: (3E)-6-hexyl-3-(5-nitro-1,3-dihydrobenzimidazol-2-ylidene)chromene-2,7-dione Traditional Name: (3E)-6-hexyl-3-(5-nitro-1,3-dihydrobenzimidazol-2-ylidene)chromene-2,7-quinone Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=CC(=C3NC4=C(N3)C=C(C=C4)[N+](=O)[O-])C(=O)OC2=CC1=O

Isomeric SMILES

CCCCCCC1=CC2=C/C(=C\3/NC4=C(N3)C=C(C=C4)[N+](=O)[O-])/C(=O)OC2=CC1=O

InChI

InChI=1S/C22H21N3O5/c1-2-3-4-5-6-13-9-14-10-16(22(27)30-20(14)12-19(13)26)21-23-17-8-7-15(25(28)29)11-18(17)24-21/h7-12,23-24H,2-6H2,1H3/b21-16+