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

Systemtic Name: N-[(E)-3-(butylamino)-1-(2-chlorophenyl)-3-oxidanylidene-prop-1-en-2-yl]-4-nitro-benzamide Openeye Name: N-[(E)-1-(butylcarbamoyl)-2-(2-chlorophenyl)vinyl]-4-nitro-benzamide CAS Name: N-[(E)-3-(butylamino)-1-(2-chlorophenyl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide IUPAC Name: N-[(E)-3-(butylamino)-1-(2-chlorophenyl)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide Traditional Name: N-[(E)-1-(butylcarbamoyl)-2-(2-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=CC=C1Cl)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)/C(=C\C1=CC=CC=C1Cl)/NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

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