4-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]-3-nitro-benzoic acid

Systemtic Name: 4-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]-3-nitro-benzoic acid Openeye Name: 4-[4-(2-chloro-4-nitro-phenyl)piperazin-1-yl]-3-nitro-benzoic acid CAS Name: 4-[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-3-nitrobenzoic acid IUPAC Name: 4-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-3-nitrobenzoic acid Traditional Name: 4-[4-(2-chloro-4-nitro-phenyl)piperazino]-3-nitro-benzoic acid Formula: C17H15ClN4O6 MolecularWeight: 406.7772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN4O6/c18-13-10-12(21(25)26)2-4-14(13)19-5-7-20(8-6-19)15-3-1-11(17(23)24)9-16(15)22(27)28/h1-4,9-10H,5-8H2,(H,23,24)