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

Systemtic Name: 2-[(4-nitrophenyl)methyl]-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-(4-nitrophenyl)propanoic acid CAS Name: 2-[(4-nitrophenyl)methyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-(4-nitrophenyl)propanoic acid Traditional Name: 2-benzyl-3-(4-nitrophenyl)propionic acid Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H15NO4/c18-16(19)14(10-12-4-2-1-3-5-12)11-13-6-8-15(9-7-13)17(20)21/h1-9,14H,10-11H2,(H,18,19)