N-[(E)-3-(butylamino)-1-(3-nitrophenyl)-3-oxidanylidene-prop-1-en-2-yl]-2-methoxy-benzamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2OC

Isomeric SMILES

CCCCNC(=O)/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/NC(=O)C2=CC=CC=C2OC

InChI

InChI=1S/C21H23N3O5/c1-3-4-12-22-21(26)18(14-15-8-7-9-16(13-15)24(27)28)23-20(25)17-10-5-6-11-19(17)29-2/h5-11,13-14H,3-4,12H2,1-2H3,(H,22,26)(H,23,25)/b18-14+