2-chloranyl-N-[(Z)-1-(5-nitrofuran-2-yl)-3-oxidanylidene-3-(2-piperazin-4-ium-1-ylethylamino)prop-1-en-2-yl]benzamide

Systemtic Name: 2-chloranyl-N-[(Z)-1-(5-nitrofuran-2-yl)-3-oxidanylidene-3-(2-piperazin-4-ium-1-ylethylamino)prop-1-en-2-yl]benzamide Openeye Name: 2-chloro-N-[(Z)-2-(5-nitro-2-furyl)-1-(2-piperazin-4-ium-1-ylethylcarbamoyl)vinyl]benzamide CAS Name: 2-chloro-N-[(Z)-1-(5-nitro-2-furanyl)-3-oxo-3-[2-(1-piperazin-4-iumyl)ethylamino]prop-1-en-2-yl]benzamide IUPAC Name: 2-chloro-N-[(Z)-1-(5-nitrofuran-2-yl)-3-oxo-3-(2-piperazin-4-ium-1-ylethylamino)prop-1-en-2-yl]benzamide Traditional Name: 2-chloro-N-[(Z)-2-(5-nitro-2-furyl)-1-(2-piperazin-4-ium-1-ylethylcarbamoyl)vinyl]benzamide Formula: C20H23ClN5O5+ MolecularWeight: 448.88012

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CCNC(=O)C(=CC2=CC=C(O2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CC[NH2+]1)CCNC(=O)/C(=C/C2=CC=C(O2)[N+](=O)[O-])/NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H22ClN5O5/c21-16-4-2-1-3-15(16)19(27)24-17(13-14-5-6-18(31-14)26(29)30)20(28)23-9-12-25-10-7-22-8-11-25/h1-6,13,22H,7-12H2,(H,23,28)(H,24,27)/p+1/b17-13-