methyl 3-(3-morpholin-4-ylpropylcarbamoyl)-5-nitro-benzoate hydrochloride

Systemtic Name: methyl 3-(3-morpholin-4-ylpropylcarbamoyl)-5-nitro-benzoate hydrochloride Openeye Name: methyl 3-(3-morpholinopropylcarbamoyl)-5-nitro-benzoate hydrochloride CAS Name: 3-[[3-(4-morpholinyl)propylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester hydrochloride IUPAC Name: methyl 3-(3-morpholin-4-ylpropylcarbamoyl)-5-nitrobenzoate hydrochloride Traditional Name: 3-(3-morpholinopropylcarbamoyl)-5-nitro-benzoic acid methyl ester hydrochloride Formula: C16H22ClN3O6 MolecularWeight: 387.81538

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NCCCN2CCOCC2)[N+](=O)[O-].Cl

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCCCN2CCOCC2)[N+](=O)[O-].Cl

InChI

InChI=1S/C16H21N3O6.ClH/c1-24-16(21)13-9-12(10-14(11-13)19(22)23)15(20)17-3-2-4-18-5-7-25-8-6-18;/h9-11H,2-8H2,1H3,(H,17,20);1H