(E)-3-[5-chloranyl-2-(3-methylbutoxy)phenyl]-2-cyano-N-(2-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-3-[5-chloranyl-2-(3-methylbutoxy)phenyl]-2-cyano-N-(2-nitrophenyl)prop-2-enamide Openeye Name: (E)-3-(5-chloro-2-isopentyloxy-phenyl)-2-cyano-N-(2-nitrophenyl)prop-2-enamide CAS Name: (E)-3-[5-chloro-2-(3-methylbutoxy)phenyl]-2-cyano-N-(2-nitrophenyl)-2-propenamide IUPAC Name: (E)-3-[5-chloro-2-(3-methylbutoxy)phenyl]-2-cyano-N-(2-nitrophenyl)prop-2-enamide Traditional Name: (E)-3-(5-chloro-2-isoamoxy-phenyl)-2-cyano-N-(2-nitrophenyl)acrylamide Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)Cl)C=C(C#N)C(=O)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)Cl)/C=C(\C#N)/C(=O)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C21H20ClN3O4/c1-14(2)9-10-29-20-8-7-17(22)12-15(20)11-16(13-23)21(26)24-18-5-3-4-6-19(18)25(27)28/h3-8,11-12,14H,9-10H2,1-2H3,(H,24,26)/b16-11+