4,6-bis(acridin-9-ylamino)-5,7-dinitro-1,3-dihydrobenzimidazol-2-one

Systemtic Name: 4,6-bis(acridin-9-ylamino)-5,7-dinitro-1,3-dihydrobenzimidazol-2-one Openeye Name: 4,6-bis(acridin-9-ylamino)-5,7-dinitro-1,3-dihydrobenzimidazol-2-one CAS Name: 4,6-bis(9-acridinylamino)-5,7-dinitro-1,3-dihydrobenzimidazol-2-one IUPAC Name: 4,6-bis(acridin-9-ylamino)-5,7-dinitro-1,3-dihydrobenzimidazol-2-one Traditional Name: 4,6-bis(acridin-9-ylamino)-5,7-dinitro-1,3-dihydrobenzimidazol-2-one Formula: C33H20N8O5 MolecularWeight: 608.5625

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=C(C(=C(C5=C4NC(=O)N5)[N+](=O)[O-])NC6=C7C=CC=CC7=NC8=CC=CC=C86)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=C(C(=C(C5=C4NC(=O)N5)[N+](=O)[O-])NC6=C7C=CC=CC7=NC8=CC=CC=C86)[N+](=O)[O-]

InChI

InChI=1S/C33H20N8O5/c42-33-38-27-28(36-25-17-9-1-5-13-21(17)34-22-14-6-2-10-18(22)25)31(40(43)44)30(32(41(45)46)29(27)39-33)37-26-19-11-3-7-15-23(19)35-24-16-8-4-12-20(24)26/h1-16H,(H,34,36)(H,35,37)(H2,38,39,42)