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

Systemtic Name: 2-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(2-chloro-4-nitro-phenyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(2-chloro-4-nitro-phenyl)piperazino]acetic acid Formula: C12H14ClN3O4 MolecularWeight: 299.71026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCN1CC(=O)O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H14ClN3O4/c13-10-7-9(16(19)20)1-2-11(10)15-5-3-14(4-6-15)8-12(17)18/h1-2,7H,3-6,8H2,(H,17,18)