N-[4-(cyanomethyl)phenyl]-2-methoxy-5-nitro-benzamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-methoxy-5-nitro-benzamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-methoxy-5-nitro-benzamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-methoxy-5-nitrobenzamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-methoxy-5-nitrobenzamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-methoxy-5-nitro-benzamide Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C16H13N3O4/c1-23-15-7-6-13(19(21)22)10-14(15)16(20)18-12-4-2-11(3-5-12)8-9-17/h2-7,10H,8H2,1H3,(H,18,20)