1,3-diethyl-4,6-dinitro-5-[(phenylmethyl)amino]benzimidazol-2-one

Systemtic Name: 1,3-diethyl-4,6-dinitro-5-[(phenylmethyl)amino]benzimidazol-2-one Openeye Name: 5-(benzylamino)-1,3-diethyl-4,6-dinitro-benzimidazol-2-one CAS Name: 1,3-diethyl-4,6-dinitro-5-[(phenylmethyl)amino]-2-benzimidazolone IUPAC Name: 5-(benzylamino)-1,3-diethyl-4,6-dinitrobenzimidazol-2-one Traditional Name: 5-(benzylamino)-1,3-diethyl-4,6-dinitro-benzimidazol-2-one Formula: C18H19N5O5 MolecularWeight: 385.37396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=C(C(=C2N(C1=O)CC)[N+](=O)[O-])NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1C2=CC(=C(C(=C2N(C1=O)CC)[N+](=O)[O-])NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O5/c1-3-20-14-10-13(22(25)26)15(19-11-12-8-6-5-7-9-12)17(23(27)28)16(14)21(4-2)18(20)24/h5-10,19H,3-4,11H2,1-2H3