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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O4/c1-2-3-12-22-20(26)18(13-14-4-8-16(21)9-5-14)23-19(25)15-6-10-17(11-7-15)24(27)28/h4-11,13H,2-3,12H2,1H3,(H,22,26)(H,23,25)/b18-13+