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

Systemtic Name: 4-butoxy-N-[(E)-3-(2-hydroxyethylamino)-1-(3-nitrophenyl)-3-oxidanylidene-prop-1-en-2-yl]benzamide Openeye Name: 4-butoxy-N-[(E)-1-(2-hydroxyethylcarbamoyl)-2-(3-nitrophenyl)vinyl]benzamide CAS Name: 4-butoxy-N-[(E)-3-(2-hydroxyethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide IUPAC Name: 4-butoxy-N-[(E)-3-(2-hydroxyethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide Traditional Name: 4-butoxy-N-[(E)-1-(2-hydroxyethylcarbamoyl)-2-(3-nitrophenyl)vinyl]benzamide Formula: C22H25N3O6 MolecularWeight: 427.4504

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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)NCCO

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O6/c1-2-3-13-31-19-9-7-17(8-10-19)21(27)24-20(22(28)23-11-12-26)15-16-5-4-6-18(14-16)25(29)30/h4-10,14-15,26H,2-3,11-13H2,1H3,(H,23,28)(H,24,27)/b20-15+