N-(2,6-dimethylphenyl)-2-[2-(4-nitro-2-prop-2-enyl-phenoxy)ethanoylamino]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[2-(4-nitro-2-prop-2-enyl-phenoxy)ethanoylamino]ethanamide Openeye Name: 2-[[2-(2-allyl-4-nitro-phenoxy)acetyl]amino]-N-(2,6-dimethylphenyl)acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[[2-(4-nitro-2-prop-2-enylphenoxy)-1-oxoethyl]amino]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[[2-(4-nitro-2-prop-2-enylphenoxy)acetyl]amino]acetamide Traditional Name: 2-[[2-(2-allyl-4-nitro-phenoxy)acetyl]amino]-N-(2,6-dimethylphenyl)acetamide Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])CC=C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])CC=C

InChI

InChI=1S/C21H23N3O5/c1-4-6-16-11-17(24(27)28)9-10-18(16)29-13-20(26)22-12-19(25)23-21-14(2)7-5-8-15(21)3/h4-5,7-11H,1,6,12-13H2,2-3H3,(H,22,26)(H,23,25)