6-[(4-chloranyl-3-nitro-phenyl)methylamino]hexanoic acid

Systemtic Name: 6-[(4-chloranyl-3-nitro-phenyl)methylamino]hexanoic acid Openeye Name: 6-[(4-chloro-3-nitro-phenyl)methylamino]hexanoic acid CAS Name: 6-[(4-chloro-3-nitrophenyl)methylamino]hexanoic acid IUPAC Name: 6-[(4-chloro-3-nitrophenyl)methylamino]hexanoic acid Traditional Name: 6-[(4-chloro-3-nitro-benzyl)amino]hexanoic acid Formula: C13H17ClN2O4 MolecularWeight: 300.73808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CNCCCCCC(=O)O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1CNCCCCCC(=O)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H17ClN2O4/c14-11-6-5-10(8-12(11)16(19)20)9-15-7-3-1-2-4-13(17)18/h5-6,8,15H,1-4,7,9H2,(H,17,18)