benzimidazol-1-yl-[4-[(2,4-dimethylphenyl)amino]-3,5-dinitro-phenyl]methanone

Systemtic Name: benzimidazol-1-yl-[4-[(2,4-dimethylphenyl)amino]-3,5-dinitro-phenyl]methanone Openeye Name: benzimidazol-1-yl-[4-(2,4-dimethylanilino)-3,5-dinitro-phenyl]methanone CAS Name: 1-benzimidazolyl-[4-(2,4-dimethylanilino)-3,5-dinitrophenyl]methanone IUPAC Name: benzimidazol-1-yl-[4-(2,4-dimethylanilino)-3,5-dinitrophenyl]methanone Traditional Name: benzimidazol-1-yl-[4-(2,4-dimethylanilino)-3,5-dinitro-phenyl]methanone Formula: C22H17N5O5 MolecularWeight: 431.40088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)N3C=NC4=CC=CC=C43)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)N3C=NC4=CC=CC=C43)[N+](=O)[O-])C

InChI

InChI=1S/C22H17N5O5/c1-13-7-8-16(14(2)9-13)24-21-19(26(29)30)10-15(11-20(21)27(31)32)22(28)25-12-23-17-5-3-4-6-18(17)25/h3-12,24H,1-2H3