5-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]furan-2-carboxylic acid Openeye Name: 5-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]furan-2-carboxylic acid CAS Name: 5-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]furan-2-carboxylic acid Traditional Name: 5-[[4-(4-nitrophenyl)piperazino]methyl]-2-furoic acid Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(O2)C(=O)O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=C(O2)C(=O)O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O5/c20-16(21)15-6-5-14(24-15)11-17-7-9-18(10-8-17)12-1-3-13(4-2-12)19(22)23/h1-6H,7-11H2,(H,20,21)