3-[2-nitro-4-[oxidanyl(phenyl)methyl]phenyl]propanoic acid

Systemtic Name: 3-[2-nitro-4-[oxidanyl(phenyl)methyl]phenyl]propanoic acid Openeye Name: 3-[4-[hydroxy(phenyl)methyl]-2-nitro-phenyl]propanoic acid CAS Name: 3-[4-[hydroxy(phenyl)methyl]-2-nitrophenyl]propanoic acid IUPAC Name: 3-[4-[hydroxy(phenyl)methyl]-2-nitrophenyl]propanoic acid Traditional Name: 3-[4-[hydroxy(phenyl)methyl]-2-nitro-phenyl]propionic acid Formula: C16H15NO5 MolecularWeight: 301.294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO5/c18-15(19)9-8-11-6-7-13(10-14(11)17(21)22)16(20)12-4-2-1-3-5-12/h1-7,10,16,20H,8-9H2,(H,18,19)