3-[(2,4-dichlorophenyl)methylamino]-4-fluoranyl-benzoic acid

Systemtic Name: 3-[(2,4-dichlorophenyl)methylamino]-4-fluoranyl-benzoic acid Openeye Name: 3-[(2,4-dichlorophenyl)methylamino]-4-fluoro-benzoic acid CAS Name: 3-[(2,4-dichlorophenyl)methylamino]-4-fluorobenzoic acid IUPAC Name: 3-[(2,4-dichlorophenyl)methylamino]-4-fluorobenzoic acid Traditional Name: 3-[(2,4-dichlorobenzyl)amino]-4-fluoro-benzoic acid Formula: C14H10Cl2FNO2 MolecularWeight: 314.139103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)NCC2=C(C=C(C=C2)Cl)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)NCC2=C(C=C(C=C2)Cl)Cl)F

InChI

InChI=1S/C14H10Cl2FNO2/c15-10-3-1-9(11(16)6-10)7-18-13-5-8(14(19)20)2-4-12(13)17/h1-6,18H,7H2,(H,19,20)