3-cyano-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]benzamide

Systemtic Name: 3-cyano-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]benzamide Openeye Name: 3-cyano-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]benzamide CAS Name: 3-cyano-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]benzamide IUPAC Name: 3-cyano-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]benzamide Traditional Name: 3-cyano-N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]benzamide Formula: C18H17N3O5 MolecularWeight: 355.34468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O5/c1-25-16-9-13(15(21(23)24)10-17(16)26-2)6-7-20-18(22)14-5-3-4-12(8-14)11-19/h3-5,8-10H,6-7H2,1-2H3,(H,20,22)