2-[2-(3-nitrophenyl)ethyl]benzoic acid

Systemtic Name: 2-[2-(3-nitrophenyl)ethyl]benzoic acid Openeye Name: 2-[2-(3-nitrophenyl)ethyl]benzoic acid CAS Name: 2-[2-(3-nitrophenyl)ethyl]benzoic acid IUPAC Name: 2-[2-(3-nitrophenyl)ethyl]benzoic acid Traditional Name: 2-[2-(3-nitrophenyl)ethyl]benzoic acid Formula: C15H13NO4 MolecularWeight: 271.26802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CCC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H13NO4/c17-15(18)14-7-2-1-5-12(14)9-8-11-4-3-6-13(10-11)16(19)20/h1-7,10H,8-9H2,(H,17,18)