3-[(2-chloranyl-6-fluoranyl-phenyl)methyl-[(4-nitrophenyl)methyl]amino]propanoic acid

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methyl-[(4-nitrophenyl)methyl]amino]propanoic acid Openeye Name: 3-[(2-chloro-6-fluoro-phenyl)methyl-[(4-nitrophenyl)methyl]amino]propanoic acid CAS Name: 3-[(2-chloro-6-fluorophenyl)methyl-[(4-nitrophenyl)methyl]amino]propanoic acid IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methyl-[(4-nitrophenyl)methyl]amino]propanoic acid Traditional Name: 3-[(2-chloro-6-fluoro-benzyl)-(4-nitrobenzyl)amino]propionic acid Formula: C17H16ClFN2O4 MolecularWeight: 366.771343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)CN(CCC(=O)O)CC2=CC=C(C=C2)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CN(CCC(=O)O)CC2=CC=C(C=C2)[N+](=O)[O-])F

InChI

InChI=1S/C17H16ClFN2O4/c18-15-2-1-3-16(19)14(15)11-20(9-8-17(22)23)10-12-4-6-13(7-5-12)21(24)25/h1-7H,8-11H2,(H,22,23)