4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-3-nitro-benzoic acid

Systemtic Name: 4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-3-nitro-benzoic acid Openeye Name: 4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitro-benzoic acid CAS Name: 4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-3-nitrobenzoic acid IUPAC Name: 4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-nitrobenzoic acid Traditional Name: 4-[4-(2-furoyl)piperazino]-3-nitro-benzoic acid Formula: C16H15N3O6 MolecularWeight: 345.3068

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])C(=O)C3=CC=CO3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])C(=O)C3=CC=CO3

InChI

InChI=1S/C16H15N3O6/c20-15(14-2-1-9-25-14)18-7-5-17(6-8-18)12-4-3-11(16(21)22)10-13(12)19(23)24/h1-4,9-10H,5-8H2,(H,21,22)