N-[(Z)-1-(3-nitrophenyl)-3-oxidanylidene-3-(2-piperazin-4-ium-1-ylethylamino)prop-1-en-2-yl]furan-2-carboxamide

Systemtic Name: N-[(Z)-1-(3-nitrophenyl)-3-oxidanylidene-3-(2-piperazin-4-ium-1-ylethylamino)prop-1-en-2-yl]furan-2-carboxamide Openeye Name: N-[(Z)-2-(3-nitrophenyl)-1-(2-piperazin-4-ium-1-ylethylcarbamoyl)vinyl]furan-2-carboxamide CAS Name: N-[(Z)-1-(3-nitrophenyl)-3-oxo-3-[2-(1-piperazin-4-iumyl)ethylamino]prop-1-en-2-yl]-2-furancarboxamide IUPAC Name: N-[(Z)-1-(3-nitrophenyl)-3-oxo-3-(2-piperazin-4-ium-1-ylethylamino)prop-1-en-2-yl]furan-2-carboxamide Traditional Name: N-[(Z)-2-(3-nitrophenyl)-1-(2-piperazin-4-ium-1-ylethylcarbamoyl)vinyl]-2-furamide Formula: C20H24N5O5+ MolecularWeight: 414.43506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CCNC(=O)C(=CC2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC=CO3

Isomeric SMILES

C1CN(CC[NH2+]1)CCNC(=O)/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C3=CC=CO3

InChI

InChI=1S/C20H23N5O5/c26-19(22-8-11-24-9-6-21-7-10-24)17(23-20(27)18-5-2-12-30-18)14-15-3-1-4-16(13-15)25(28)29/h1-5,12-14,21H,6-11H2,(H,22,26)(H,23,27)/p+1/b17-14-