4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-nitro-benzoic acid hydrochloride

Systemtic Name: 4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-nitro-benzoic acid hydrochloride Openeye Name: 4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-nitro-benzoic acid hydrochloride CAS Name: 4-[4-(2-hydroxyethyl)-1-piperazinyl]-3-nitrobenzoic acid hydrochloride IUPAC Name: 4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-nitrobenzoic acid hydrochloride Traditional Name: 4-[4-(2-hydroxyethyl)piperazino]-3-nitro-benzoic acid hydrochloride Formula: C13H18ClN3O5 MolecularWeight: 331.75212

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-].Cl

Isomeric SMILES

C1CN(CCN1CCO)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-].Cl

InChI

InChI=1S/C13H17N3O5.ClH/c17-8-7-14-3-5-15(6-4-14)11-2-1-10(13(18)19)9-12(11)16(20)21;/h1-2,9,17H,3-8H2,(H,18,19);1H