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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=C(C(=C2N(C1=O)CC)[N+](=O)[O-])NC3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCN1C2=CC(=C(C(=C2N(C1=O)CC)[N+](=O)[O-])NC3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O5/c1-4-20-14-10-13(22(25)26)15(19-12-8-6-11(3)7-9-12)17(23(27)28)16(14)21(5-2)18(20)24/h6-10,19H,4-5H2,1-3H3