methyl 3-(2-morpholin-4-ium-4-ylethylcarbamoyl)-5-nitro-benzoate

Systemtic Name: methyl 3-(2-morpholin-4-ium-4-ylethylcarbamoyl)-5-nitro-benzoate Openeye Name: methyl 3-(2-morpholin-4-ium-4-ylethylcarbamoyl)-5-nitro-benzoate CAS Name: 3-[[2-(4-morpholin-4-iumyl)ethylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(2-morpholin-4-ium-4-ylethylcarbamoyl)-5-nitrobenzoate Traditional Name: 3-(2-morpholin-4-ium-4-ylethylcarbamoyl)-5-nitro-benzoic acid methyl ester Formula: C15H20N3O6+ MolecularWeight: 338.3358

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NCC[NH+]2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCC[NH+]2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O6/c1-23-15(20)12-8-11(9-13(10-12)18(21)22)14(19)16-2-3-17-4-6-24-7-5-17/h8-10H,2-7H2,1H3,(H,16,19)/p+1