N-[5-(1H-benzimidazol-2-yl)-2-methyl-phenyl]-3,5-dinitro-benzamide

Systemtic Name: N-[5-(1H-benzimidazol-2-yl)-2-methyl-phenyl]-3,5-dinitro-benzamide Openeye Name: N-[5-(1H-benzimidazol-2-yl)-2-methyl-phenyl]-3,5-dinitro-benzamide CAS Name: N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3,5-dinitrobenzamide IUPAC Name: N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3,5-dinitrobenzamide Traditional Name: N-[5-(1H-benzimidazol-2-yl)-2-methyl-phenyl]-3,5-dinitro-benzamide Formula: C21H15N5O5 MolecularWeight: 417.3743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N2)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N2)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

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