4-butoxy-N-[(E)-1-(3-nitrophenyl)-3-oxidanylidene-3-(3-oxidanylpropylamino)prop-1-en-2-yl]benzamide

Systemtic Name: 4-butoxy-N-[(E)-1-(3-nitrophenyl)-3-oxidanylidene-3-(3-oxidanylpropylamino)prop-1-en-2-yl]benzamide Openeye Name: 4-butoxy-N-[(E)-1-(3-hydroxypropylcarbamoyl)-2-(3-nitrophenyl)vinyl]benzamide CAS Name: 4-butoxy-N-[(E)-3-(3-hydroxypropylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide IUPAC Name: 4-butoxy-N-[(E)-3-(3-hydroxypropylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide Traditional Name: 4-butoxy-N-[(E)-1-(3-hydroxypropylcarbamoyl)-2-(3-nitrophenyl)vinyl]benzamide Formula: C23H27N3O6 MolecularWeight: 441.47698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)NCCCO

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)NCCCO

InChI

InChI=1S/C23H27N3O6/c1-2-3-14-32-20-10-8-18(9-11-20)22(28)25-21(23(29)24-12-5-13-27)16-17-6-4-7-19(15-17)26(30)31/h4,6-11,15-16,27H,2-3,5,12-14H2,1H3,(H,24,29)(H,25,28)/b21-16+