2-[4-(2-hydroxyethyl)piperazin-1-yl]-3,5-dinitro-benzoate

Systemtic Name: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-3,5-dinitro-benzoate Openeye Name: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-3,5-dinitro-benzoate CAS Name: 2-[4-(2-hydroxyethyl)-1-piperazinyl]-3,5-dinitrobenzoate IUPAC Name: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-3,5-dinitrobenzoate Traditional Name: 2-[4-(2-hydroxyethyl)piperazino]-3,5-dinitro-benzoate Formula: C13H15N4O7- MolecularWeight: 339.2808

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=C(C=C(C=C2C(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCO)C2=C(C=C(C=C2C(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O7/c18-6-5-14-1-3-15(4-2-14)12-10(13(19)20)7-9(16(21)22)8-11(12)17(23)24/h7-8,18H,1-6H2,(H,19,20)/p-1