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

Systemtic Name: N-[(E)-3-(tert-butylamino)-1-(4-chlorophenyl)-3-oxidanylidene-prop-1-en-2-yl]-4-nitro-benzamide Openeye Name: N-[(E)-1-(tert-butylcarbamoyl)-2-(4-chlorophenyl)vinyl]-4-nitro-benzamide CAS Name: N-[(E)-3-(tert-butylamino)-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide IUPAC Name: N-[(E)-3-(tert-butylamino)-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide Traditional Name: N-[(E)-1-(tert-butylcarbamoyl)-2-(4-chlorophenyl)vinyl]-4-nitro-benzamide Formula: C20H20ClN3O4 MolecularWeight: 401.8435

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O4/c1-20(2,3)23-19(26)17(12-13-4-8-15(21)9-5-13)22-18(25)14-6-10-16(11-7-14)24(27)28/h4-12H,1-3H3,(H,22,25)(H,23,26)/b17-12+