ethyl 3-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate

Systemtic Name: ethyl 3-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate Openeye Name: ethyl 3-[(4-chloro-3-nitro-benzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate CAS Name: 3-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-4-(4-ethyl-1-piperazin-4-iumyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-chloro-3-nitrobenzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoate Traditional Name: 3-[(4-chloro-3-nitro-benzoyl)amino]-4-(4-ethylpiperazin-4-ium-1-yl)benzoic acid ethyl ester Formula: C22H26ClN4O5+ MolecularWeight: 461.91864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4O5/c1-3-25-9-11-26(12-10-25)19-8-6-16(22(29)32-4-2)13-18(19)24-21(28)15-5-7-17(23)20(14-15)27(30)31/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,24,28)/p+1