4-[[(4-bromanyl-2-nitro-phenyl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(4-bromanyl-2-nitro-phenyl)amino]methyl]benzoic acid Openeye Name: 4-[(4-bromo-2-nitro-anilino)methyl]benzoic acid CAS Name: 4-[(4-bromo-2-nitroanilino)methyl]benzoic acid IUPAC Name: 4-[(4-bromo-2-nitroanilino)methyl]benzoic acid Traditional Name: 4-[(4-bromo-2-nitro-anilino)methyl]benzoic acid Formula: C14H11BrN2O4 MolecularWeight: 351.15214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=C(C=C(C=C2)Br)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC2=C(C=C(C=C2)Br)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H11BrN2O4/c15-11-5-6-12(13(7-11)17(20)21)16-8-9-1-3-10(4-2-9)14(18)19/h1-7,16H,8H2,(H,18,19)