N-[(Z)-1-(butylamino)-3-(3-nitrophenyl)-1-oxidanylidene-but-2-en-2-yl]benzamide

Systemtic Name: N-[(Z)-1-(butylamino)-3-(3-nitrophenyl)-1-oxidanylidene-but-2-en-2-yl]benzamide Openeye Name: N-[(Z)-1-(butylcarbamoyl)-2-(3-nitrophenyl)prop-1-enyl]benzamide CAS Name: N-[(Z)-1-(butylamino)-3-(3-nitrophenyl)-1-oxobut-2-en-2-yl]benzamide IUPAC Name: N-[(Z)-1-(butylamino)-3-(3-nitrophenyl)-1-oxobut-2-en-2-yl]benzamide Traditional Name: N-[(Z)-1-(butylcarbamoyl)-2-(3-nitrophenyl)prop-1-enyl]benzamide Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4/c1-3-4-13-22-21(26)19(23-20(25)16-9-6-5-7-10-16)15(2)17-11-8-12-18(14-17)24(27)28/h5-12,14H,3-4,13H2,1-2H3,(H,22,26)(H,23,25)/b19-15-