(E)-N-(2-chloranyl-5-nitro-phenyl)-2-cyano-3-[4-(2-methylpropoxy)phenyl]prop-2-enamide

Systemtic Name: (E)-N-(2-chloranyl-5-nitro-phenyl)-2-cyano-3-[4-(2-methylpropoxy)phenyl]prop-2-enamide Openeye Name: (E)-N-(2-chloro-5-nitro-phenyl)-2-cyano-3-(4-isobutoxyphenyl)prop-2-enamide CAS Name: (E)-N-(2-chloro-5-nitrophenyl)-2-cyano-3-[4-(2-methylpropoxy)phenyl]-2-propenamide IUPAC Name: (E)-N-(2-chloro-5-nitrophenyl)-2-cyano-3-[4-(2-methylpropoxy)phenyl]prop-2-enamide Traditional Name: (E)-N-(2-chloro-5-nitro-phenyl)-2-cyano-3-(4-isobutoxyphenyl)acrylamide Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O4/c1-13(2)12-28-17-6-3-14(4-7-17)9-15(11-22)20(25)23-19-10-16(24(26)27)5-8-18(19)21/h3-10,13H,12H2,1-2H3,(H,23,25)/b15-9+