N-[(E)-3-(tert-butylamino)-1-(4-methoxyphenyl)-3-oxidanylidene-prop-1-en-2-yl]-4-nitro-benzamide

Systemtic Name: N-[(E)-3-(tert-butylamino)-1-(4-methoxyphenyl)-3-oxidanylidene-prop-1-en-2-yl]-4-nitro-benzamide Openeye Name: N-[(E)-1-(tert-butylcarbamoyl)-2-(4-methoxyphenyl)vinyl]-4-nitro-benzamide CAS Name: N-[(E)-3-(tert-butylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide IUPAC Name: N-[(E)-3-(tert-butylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide Traditional Name: N-[(E)-1-(tert-butylcarbamoyl)-2-(4-methoxyphenyl)vinyl]-4-nitro-benzamide Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5/c1-21(2,3)23-20(26)18(13-14-5-11-17(29-4)12-6-14)22-19(25)15-7-9-16(10-8-15)24(27)28/h5-13H,1-4H3,(H,22,25)(H,23,26)/b18-13+