3-[(2-chloranyl-5-nitro-phenyl)methylamino]benzoic acid

Systemtic Name: 3-[(2-chloranyl-5-nitro-phenyl)methylamino]benzoic acid Openeye Name: 3-[(2-chloro-5-nitro-phenyl)methylamino]benzoic acid CAS Name: 3-[(2-chloro-5-nitrophenyl)methylamino]benzoic acid IUPAC Name: 3-[(2-chloro-5-nitrophenyl)methylamino]benzoic acid Traditional Name: 3-[(2-chloro-5-nitro-benzyl)amino]benzoic acid Formula: C14H11ClN2O4 MolecularWeight: 306.70114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11ClN2O4/c15-13-5-4-12(17(20)21)7-10(13)8-16-11-3-1-2-9(6-11)14(18)19/h1-7,16H,8H2,(H,18,19)