4-nitro-2-(1-phenylethyl)benzoic acid

Systemtic Name: 4-nitro-2-(1-phenylethyl)benzoic acid Openeye Name: 4-nitro-2-(1-phenylethyl)benzoic acid CAS Name: 4-nitro-2-(1-phenylethyl)benzoic acid IUPAC Name: 4-nitro-2-(1-phenylethyl)benzoic acid Traditional Name: 4-nitro-2-(1-phenylethyl)benzoic acid Formula: C15H13NO4 MolecularWeight: 271.26802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13NO4/c1-10(11-5-3-2-4-6-11)14-9-12(16(19)20)7-8-13(14)15(17)18/h2-10H,1H3,(H,17,18)