2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitro-benzoic acid

Systemtic Name: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitro-benzoic acid Openeye Name: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitro-benzoic acid CAS Name: 2-[4-(2-hydroxyethyl)-1-piperazinyl]-5-nitrobenzoic acid IUPAC Name: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitrobenzoic acid Traditional Name: 2-[4-(2-hydroxyethyl)piperazino]-5-nitro-benzoic acid Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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