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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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