N-(2-methoxy-5-methyl-phenyl)-2,4-dinitro-benzamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-2,4-dinitro-benzamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-2,4-dinitro-benzamide CAS Name: N-(2-methoxy-5-methylphenyl)-2,4-dinitrobenzamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-2,4-dinitrobenzamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-2,4-dinitro-benzamide Formula: C15H13N3O6 MolecularWeight: 331.28022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O6/c1-9-3-6-14(24-2)12(7-9)16-15(19)11-5-4-10(17(20)21)8-13(11)18(22)23/h3-8H,1-2H3,(H,16,19)