N-(4-benzamido-3-methyl-phenyl)-2,4-dinitro-benzamide

Systemtic Name: N-(4-benzamido-3-methyl-phenyl)-2,4-dinitro-benzamide Openeye Name: N-(4-benzamido-3-methyl-phenyl)-2,4-dinitro-benzamide CAS Name: N-(4-benzamido-3-methylphenyl)-2,4-dinitrobenzamide IUPAC Name: N-(4-benzamido-3-methylphenyl)-2,4-dinitrobenzamide Traditional Name: N-(4-benzamido-3-methyl-phenyl)-2,4-dinitro-benzamide Formula: C21H16N4O6 MolecularWeight: 420.37494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H16N4O6/c1-13-11-15(7-10-18(13)23-20(26)14-5-3-2-4-6-14)22-21(27)17-9-8-16(24(28)29)12-19(17)25(30)31/h2-12H,1H3,(H,22,27)(H,23,26)