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

Systemtic Name: benzimidazol-1-yl-[4-[(4-methylphenyl)amino]-3,5-dinitro-phenyl]methanone Openeye Name: benzimidazol-1-yl-[4-(4-methylanilino)-3,5-dinitro-phenyl]methanone CAS Name: 1-benzimidazolyl-[4-(4-methylanilino)-3,5-dinitrophenyl]methanone IUPAC Name: benzimidazol-1-yl-[4-(4-methylanilino)-3,5-dinitrophenyl]methanone Traditional Name: benzimidazol-1-yl-[3,5-dinitro-4-(p-toluidino)phenyl]methanone Formula: C21H15N5O5 MolecularWeight: 417.3743

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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-]

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-]

InChI

InChI=1S/C21H15N5O5/c1-13-6-8-15(9-7-13)23-20-18(25(28)29)10-14(11-19(20)26(30)31)21(27)24-12-22-16-4-2-3-5-17(16)24/h2-12,23H,1H3