methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-[(5-nitrofuran-2-yl)carbonylamino]benzoate

Systemtic Name: methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-[(5-nitrofuran-2-yl)carbonylamino]benzoate Openeye Name: methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-[(5-nitrofuran-2-carbonyl)amino]benzoate CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3-[[(5-nitro-2-furanyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylpiperazin-4-ium-1-yl)-3-[(5-nitrofuran-2-carbonyl)amino]benzoate Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-[(5-nitro-2-furoyl)amino]benzoic acid methyl ester Formula: C18H21N4O6+ MolecularWeight: 389.38254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O6/c1-20-7-9-21(10-8-20)14-4-3-12(18(24)27-2)11-13(14)19-17(23)15-5-6-16(28-15)22(25)26/h3-6,11H,7-10H2,1-2H3,(H,19,23)/p+1