methyl 3-[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl-5-nitro-benzoate hydrochloride

Systemtic Name: methyl 3-[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl-5-nitro-benzoate hydrochloride Openeye Name: methyl 3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-5-nitro-benzoate hydrochloride CAS Name: 3-[[4-(2-hydroxyethyl)-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-5-nitrobenzoate hydrochloride Traditional Name: 3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-5-nitro-benzoic acid methyl ester hydrochloride Formula: C15H20ClN3O6 MolecularWeight: 373.7888

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)CCO)[N+](=O)[O-].Cl

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)CCO)[N+](=O)[O-].Cl

InChI

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