6-[(4-chloranyl-3-nitro-phenyl)methylazaniumyl]hexanoate

Systemtic Name: 6-[(4-chloranyl-3-nitro-phenyl)methylazaniumyl]hexanoate Openeye Name: 6-[(4-chloro-3-nitro-phenyl)methylammonio]hexanoate CAS Name: 6-[(4-chloro-3-nitrophenyl)methylammonio]hexanoate IUPAC Name: 6-[(4-chloro-3-nitrophenyl)methylazaniumyl]hexanoate Traditional Name: 6-[(4-chloro-3-nitro-benzyl)ammonio]hexanoate Formula: C13H17ClN2O4 MolecularWeight: 300.73808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C[NH2+]CCCCCC(=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C[NH2+]CCCCCC(=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)