methyl 3-[[(E)-1-cyano-1-(3,5-dimethylphenyl)-3,3-dimethyl-but-1-en-2-yl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[(E)-1-cyano-1-(3,5-dimethylphenyl)-3,3-dimethyl-but-1-en-2-yl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[(1E)-1-[cyano-(3,5-dimethylphenyl)methylene]-2,2-dimethyl-propyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[(E)-1-cyano-1-(3,5-dimethylphenyl)-3,3-dimethylbut-1-en-2-yl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-1-cyano-1-(3,5-dimethylphenyl)-3,3-dimethylbut-1-en-2-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[(E)-1-tert-butyl-2-cyano-2-(3,5-dimethylphenyl)vinyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C24H25N3O5 MolecularWeight: 435.4724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O5/c1-14-7-15(2)9-16(8-14)20(13-25)21(24(3,4)5)26-22(28)17-10-18(23(29)32-6)12-19(11-17)27(30)31/h7-12H,1-6H3,(H,26,28)/b21-20-