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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5/c1-3-4-13-22-21(26)19(14-15-5-11-18(29-2)12-6-15)23-20(25)16-7-9-17(10-8-16)24(27)28/h5-12,14H,3-4,13H2,1-2H3,(H,22,26)(H,23,25)/b19-14+