4-[(4-bromanyl-3-nitro-phenyl)methylamino]benzoic acid

Systemtic Name: 4-[(4-bromanyl-3-nitro-phenyl)methylamino]benzoic acid Openeye Name: 4-[(4-bromo-3-nitro-phenyl)methylamino]benzoic acid CAS Name: 4-[(4-bromo-3-nitrophenyl)methylamino]benzoic acid IUPAC Name: 4-[(4-bromo-3-nitrophenyl)methylamino]benzoic acid Traditional Name: 4-[(4-bromo-3-nitro-benzyl)amino]benzoic acid Formula: C14H11BrN2O4 MolecularWeight: 351.15214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCC2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCC2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

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