4,6-dinitro-5,7-bis[(phenylmethyl)amino]-1,3-dihydrobenzimidazol-2-one

Systemtic Name: 4,6-dinitro-5,7-bis[(phenylmethyl)amino]-1,3-dihydrobenzimidazol-2-one Openeye Name: 4,6-bis(benzylamino)-5,7-dinitro-1,3-dihydrobenzimidazol-2-one CAS Name: 4,6-dinitro-5,7-bis[(phenylmethyl)amino]-1,3-dihydrobenzimidazol-2-one IUPAC Name: 4,6-bis(benzylamino)-5,7-dinitro-1,3-dihydrobenzimidazol-2-one Traditional Name: 4,6-bis(benzylamino)-5,7-dinitro-1,3-dihydrobenzimidazol-2-one Formula: C21H18N6O5 MolecularWeight: 434.40482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=C(C3=C2NC(=O)N3)[N+](=O)[O-])NCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=C(C3=C2NC(=O)N3)[N+](=O)[O-])NCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N6O5/c28-21-24-15-16(22-11-13-7-3-1-4-8-13)19(26(29)30)18(20(27(31)32)17(15)25-21)23-12-14-9-5-2-6-10-14/h1-10,22-23H,11-12H2,(H2,24,25,28)