N-[4-(cyanomethyl)phenyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-methyl-3-nitro-benzamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-methyl-3-nitro-benzamide Formula: C16H13N3O3 MolecularWeight: 295.29272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C16H13N3O3/c1-11-14(3-2-4-15(11)19(21)22)16(20)18-13-7-5-12(6-8-13)9-10-17/h2-8H,9H2,1H3,(H,18,20)