N-(2-bromanyl-4-methyl-phenyl)-3,5-dinitro-benzamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-3,5-dinitro-benzamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-3,5-dinitro-benzamide CAS Name: N-(2-bromo-4-methylphenyl)-3,5-dinitrobenzamide IUPAC Name: N-(2-bromo-4-methylphenyl)-3,5-dinitrobenzamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-3,5-dinitro-benzamide Formula: C14H10BrN3O5 MolecularWeight: 380.1503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10BrN3O5/c1-8-2-3-13(12(15)4-8)16-14(19)9-5-10(17(20)21)7-11(6-9)18(22)23/h2-7H,1H3,(H,16,19)