(E)-3-[4-(2-chloranylphenoxy)-3-nitro-phenyl]-2-cyano-N-cyclohexyl-prop-2-enamide

Systemtic Name: (E)-3-[4-(2-chloranylphenoxy)-3-nitro-phenyl]-2-cyano-N-cyclohexyl-prop-2-enamide Openeye Name: (E)-3-[4-(2-chlorophenoxy)-3-nitro-phenyl]-2-cyano-N-cyclohexyl-prop-2-enamide CAS Name: (E)-3-[4-(2-chlorophenoxy)-3-nitrophenyl]-2-cyano-N-cyclohexyl-2-propenamide IUPAC Name: (E)-3-[4-(2-chlorophenoxy)-3-nitrophenyl]-2-cyano-N-cyclohexylprop-2-enamide Traditional Name: (E)-3-[4-(2-chlorophenoxy)-3-nitro-phenyl]-2-cyano-N-cyclohexyl-acrylamide Formula: C22H20ClN3O4 MolecularWeight: 425.8649

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(=CC2=CC(=C(C=C2)OC3=CC=CC=C3Cl)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCC(CC1)NC(=O)/C(=C/C2=CC(=C(C=C2)OC3=CC=CC=C3Cl)[N+](=O)[O-])/C#N

InChI

InChI=1S/C22H20ClN3O4/c23-18-8-4-5-9-20(18)30-21-11-10-15(13-19(21)26(28)29)12-16(14-24)22(27)25-17-6-2-1-3-7-17/h4-5,8-13,17H,1-3,6-7H2,(H,25,27)/b16-12+