(E)-N-(2-chloranyl-5-nitro-phenyl)-2-cyano-3-(4-pentoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-(2-chloranyl-5-nitro-phenyl)-2-cyano-3-(4-pentoxyphenyl)prop-2-enamide Openeye Name: (E)-N-(2-chloro-5-nitro-phenyl)-2-cyano-3-(4-pentoxyphenyl)prop-2-enamide CAS Name: (E)-N-(2-chloro-5-nitrophenyl)-2-cyano-3-(4-pentoxyphenyl)-2-propenamide IUPAC Name: (E)-N-(2-chloro-5-nitrophenyl)-2-cyano-3-(4-pentoxyphenyl)prop-2-enamide Traditional Name: (E)-3-(4-amoxyphenyl)-N-(2-chloro-5-nitro-phenyl)-2-cyano-acrylamide Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H20ClN3O4/c1-2-3-4-11-29-18-8-5-15(6-9-18)12-16(14-23)21(26)24-20-13-17(25(27)28)7-10-19(20)22/h5-10,12-13H,2-4,11H2,1H3,(H,24,26)/b16-12+