3-(4-chloranyl-3-nitro-phenyl)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide

Systemtic Name: 3-(4-chloranyl-3-nitro-phenyl)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide Openeye Name: 3-(4-chloro-3-nitro-phenyl)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide CAS Name: 3-(4-chloro-3-nitrophenyl)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-propenamide IUPAC Name: 3-(4-chloro-3-nitrophenyl)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide Traditional Name: 3-(4-chloro-3-nitro-phenyl)-2-cyano-N-homoveratryl-acrylamide Formula: C20H18ClN3O5 MolecularWeight: 415.82702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C(=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C(=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C#N)OC

InChI

InChI=1S/C20H18ClN3O5/c1-28-18-6-4-13(11-19(18)29-2)7-8-23-20(25)15(12-22)9-14-3-5-16(21)17(10-14)24(26)27/h3-6,9-11H,7-8H2,1-2H3,(H,23,25)