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

Systemtic Name: methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-[(5-nitrofuran-2-yl)carbonylamino]benzoate Openeye Name: methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-[(5-nitrofuran-2-carbonyl)amino]benzoate CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-3-[[(5-nitro-2-furanyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-ethylpiperazin-4-ium-1-yl)-3-[(5-nitrofuran-2-carbonyl)amino]benzoate Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-3-[(5-nitro-2-furoyl)amino]benzoic acid methyl ester Formula: C19H23N4O6+ MolecularWeight: 403.40912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O6/c1-3-21-8-10-22(11-9-21)15-5-4-13(19(25)28-2)12-14(15)20-18(24)16-6-7-17(29-16)23(26)27/h4-7,12H,3,8-11H2,1-2H3,(H,20,24)/p+1