methyl 3-nitro-4-(2-pyrrolidin-1-ylethoxy)benzoate hydrochloride

Systemtic Name: methyl 3-nitro-4-(2-pyrrolidin-1-ylethoxy)benzoate hydrochloride Openeye Name: methyl 3-nitro-4-(2-pyrrolidin-1-ylethoxy)benzoate hydrochloride CAS Name: 3-nitro-4-[2-(1-pyrrolidinyl)ethoxy]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 3-nitro-4-(2-pyrrolidin-1-ylethoxy)benzoate hydrochloride Traditional Name: 3-nitro-4-(2-pyrrolidinoethoxy)benzoic acid methyl ester hydrochloride Formula: C14H19ClN2O5 MolecularWeight: 330.76406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCCN2CCCC2)[N+](=O)[O-].Cl

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCCN2CCCC2)[N+](=O)[O-].Cl

InChI

InChI=1S/C14H18N2O5.ClH/c1-20-14(17)11-4-5-13(12(10-11)16(18)19)21-9-8-15-6-2-3-7-15;/h4-5,10H,2-3,6-9H2,1H3;1H