N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-oxidanylidene-3-(phenethylamino)prop-1-en-2-yl]-3-nitro-benzamide

Systemtic Name: N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-oxidanylidene-3-(phenethylamino)prop-1-en-2-yl]-3-nitro-benzamide Openeye Name: N-[(Z)-2-(1,3-benzodioxol-5-yl)-1-(phenethylcarbamoyl)vinyl]-3-nitro-benzamide CAS Name: N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-(phenethylamino)prop-1-en-2-yl]-3-nitrobenzamide IUPAC Name: N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-(phenethylamino)prop-1-en-2-yl]-3-nitrobenzamide Traditional Name: N-[(Z)-2-(1,3-benzodioxol-5-yl)-1-(phenethylcarbamoyl)vinyl]-3-nitro-benzamide Formula: C25H21N3O6 MolecularWeight: 459.45074

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NCCC3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C(/C(=O)NCCC3=CC=CC=C3)\NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H21N3O6/c29-24(19-7-4-8-20(15-19)28(31)32)27-21(13-18-9-10-22-23(14-18)34-16-33-22)25(30)26-12-11-17-5-2-1-3-6-17/h1-10,13-15H,11-12,16H2,(H,26,30)(H,27,29)/b21-13-