(E)-2-cyano-N-(2,6-dimethylphenyl)-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(2,6-dimethylphenyl)-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(2,6-dimethylphenyl)-3-(4-isopropyl-3-nitro-phenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(2,6-dimethylphenyl)-3-(3-nitro-4-propan-2-ylphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(2,6-dimethylphenyl)-3-(3-nitro-4-propan-2-ylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(2,6-dimethylphenyl)-3-(4-isopropyl-3-nitro-phenyl)acrylamide Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(=CC2=CC(=C(C=C2)C(C)C)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)/C(=C/C2=CC(=C(C=C2)C(C)C)[N+](=O)[O-])/C#N

InChI

InChI=1S/C21H21N3O3/c1-13(2)18-9-8-16(11-19(18)24(26)27)10-17(12-22)21(25)23-20-14(3)6-5-7-15(20)4/h5-11,13H,1-4H3,(H,23,25)/b17-10+