4-nitro-3-phenyl-5-propan-2-yl-benzoic acid

Systemtic Name: 4-nitro-3-phenyl-5-propan-2-yl-benzoic acid Openeye Name: 3-isopropyl-4-nitro-5-phenyl-benzoic acid CAS Name: 4-nitro-3-phenyl-5-propan-2-ylbenzoic acid IUPAC Name: 4-nitro-3-phenyl-5-propan-2-ylbenzoic acid Traditional Name: 3-isopropyl-4-nitro-5-phenyl-benzoic acid Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO4/c1-10(2)13-8-12(16(18)19)9-14(15(13)17(20)21)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,18,19)