N-[(2-bromanyl-4-methyl-phenyl)-cyano-methyl]-N-methyl-2-nitro-benzamide

Systemtic Name: N-[(2-bromanyl-4-methyl-phenyl)-cyano-methyl]-N-methyl-2-nitro-benzamide Openeye Name: N-[(2-bromo-4-methyl-phenyl)-cyano-methyl]-N-methyl-2-nitro-benzamide CAS Name: N-[(2-bromo-4-methylphenyl)-cyanomethyl]-N-methyl-2-nitrobenzamide IUPAC Name: N-[(2-bromo-4-methylphenyl)-cyanomethyl]-N-methyl-2-nitrobenzamide Traditional Name: N-[(2-bromo-4-methyl-phenyl)-cyano-methyl]-N-methyl-2-nitro-benzamide Formula: C17H14BrN3O3 MolecularWeight: 388.21536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrN3O3/c1-11-7-8-12(14(18)9-11)16(10-19)20(2)17(22)13-5-3-4-6-15(13)21(23)24/h3-9,16H,1-2H3