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

Systemtic Name: 4-methyl-N-[(Z)-1-(5-nitrofuran-2-yl)-3-oxidanylidene-3-(2-piperazin-4-ium-1-ylethylamino)prop-1-en-2-yl]benzamide Openeye Name: 4-methyl-N-[(Z)-2-(5-nitro-2-furyl)-1-(2-piperazin-4-ium-1-ylethylcarbamoyl)vinyl]benzamide CAS Name: 4-methyl-N-[(Z)-1-(5-nitro-2-furanyl)-3-oxo-3-[2-(1-piperazin-4-iumyl)ethylamino]prop-1-en-2-yl]benzamide IUPAC Name: 4-methyl-N-[(Z)-1-(5-nitrofuran-2-yl)-3-oxo-3-(2-piperazin-4-ium-1-ylethylamino)prop-1-en-2-yl]benzamide Traditional Name: 4-methyl-N-[(Z)-2-(5-nitro-2-furyl)-1-(2-piperazin-4-ium-1-ylethylcarbamoyl)vinyl]benzamide Formula: C21H26N5O5+ MolecularWeight: 428.46164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(O2)[N+](=O)[O-])C(=O)NCCN3CC[NH2+]CC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(O2)[N+](=O)[O-])/C(=O)NCCN3CC[NH2+]CC3

InChI

InChI=1S/C21H25N5O5/c1-15-2-4-16(5-3-15)20(27)24-18(14-17-6-7-19(31-17)26(29)30)21(28)23-10-13-25-11-8-22-9-12-25/h2-7,14,22H,8-13H2,1H3,(H,23,28)(H,24,27)/p+1/b18-14-