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

Systemtic Name: 4-[[(4-chloranyl-3-nitro-phenyl)methylamino]methyl]benzoic acid Openeye Name: 4-[[(4-chloro-3-nitro-phenyl)methylamino]methyl]benzoic acid CAS Name: 4-[[(4-chloro-3-nitrophenyl)methylamino]methyl]benzoic acid IUPAC Name: 4-[[(4-chloro-3-nitrophenyl)methylamino]methyl]benzoic acid Traditional Name: 4-[[(4-chloro-3-nitro-benzyl)amino]methyl]benzoic acid Formula: C15H13ClN2O4 MolecularWeight: 320.72772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNCC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNCC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H13ClN2O4/c16-13-6-3-11(7-14(13)18(21)22)9-17-8-10-1-4-12(5-2-10)15(19)20/h1-7,17H,8-9H2,(H,19,20)