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

Systemtic Name: N-[(E)-3-(tert-butylamino)-3-oxidanylidene-1-phenyl-prop-1-en-2-yl]-4-nitro-benzamide Openeye Name: N-[(E)-1-(tert-butylcarbamoyl)-2-phenyl-vinyl]-4-nitro-benzamide CAS Name: N-[(E)-3-(tert-butylamino)-3-oxo-1-phenylprop-1-en-2-yl]-4-nitrobenzamide IUPAC Name: N-[(E)-3-(tert-butylamino)-3-oxo-1-phenylprop-1-en-2-yl]-4-nitrobenzamide Traditional Name: N-[(E)-1-(tert-butylcarbamoyl)-2-phenyl-vinyl]-4-nitro-benzamide Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4/c1-20(2,3)22-19(25)17(13-14-7-5-4-6-8-14)21-18(24)15-9-11-16(12-10-15)23(26)27/h4-13H,1-3H3,(H,21,24)(H,22,25)/b17-13+