ethyl 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzoate

Systemtic Name: ethyl 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzoate Openeye Name: ethyl 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzoic acid ethyl ester Formula: C14H20N3O4+ MolecularWeight: 294.3263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O4/c1-3-21-14(18)11-4-5-12(13(10-11)17(19)20)16-8-6-15(2)7-9-16/h4-5,10H,3,6-9H2,1-2H3/p+1