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

Systemtic Name: N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-oxidanylidene-3-(2-piperazin-1-ylethylamino)prop-1-en-2-yl]-3-nitro-benzamide Openeye Name: N-[(Z)-2-(1,3-benzodioxol-5-yl)-1-(2-piperazin-1-ylethylcarbamoyl)vinyl]-3-nitro-benzamide CAS Name: N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-[2-(1-piperazinyl)ethylamino]prop-1-en-2-yl]-3-nitrobenzamide IUPAC Name: N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-oxo-3-(2-piperazin-1-ylethylamino)prop-1-en-2-yl]-3-nitrobenzamide Traditional Name: N-[(Z)-2-(1,3-benzodioxol-5-yl)-1-(2-piperazinoethylcarbamoyl)vinyl]-3-nitro-benzamide Formula: C23H25N5O6 MolecularWeight: 467.4745

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCNC(=O)C(=CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)CCNC(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O6/c29-22(17-2-1-3-18(14-17)28(31)32)26-19(12-16-4-5-20-21(13-16)34-15-33-20)23(30)25-8-11-27-9-6-24-7-10-27/h1-5,12-14,24H,6-11,15H2,(H,25,30)(H,26,29)/b19-12-