(E)-2-cyano-3-(3-nitro-4-propan-2-yl-phenyl)-N-phenethyl-prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(3-nitro-4-propan-2-yl-phenyl)-N-phenethyl-prop-2-enamide Openeye Name: (E)-2-cyano-3-(4-isopropyl-3-nitro-phenyl)-N-phenethyl-prop-2-enamide CAS Name: (E)-2-cyano-3-(3-nitro-4-propan-2-ylphenyl)-N-phenethyl-2-propenamide IUPAC Name: (E)-2-cyano-3-(3-nitro-4-propan-2-ylphenyl)-N-phenethylprop-2-enamide Traditional Name: (E)-2-cyano-3-(4-isopropyl-3-nitro-phenyl)-N-phenethyl-acrylamide Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1)C=C(C#N)C(=O)NCCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NCCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O3/c1-15(2)19-9-8-17(13-20(19)24(26)27)12-18(14-22)21(25)23-11-10-16-6-4-3-5-7-16/h3-9,12-13,15H,10-11H2,1-2H3,(H,23,25)/b18-12+