5-nitro-2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]benzoic acid

Systemtic Name: 5-nitro-2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]benzoic acid Openeye Name: 2-[(E)-2-(4-isopropylphenyl)vinyl]-5-nitro-benzoic acid CAS Name: 5-nitro-2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]benzoic acid IUPAC Name: 5-nitro-2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]benzoic acid Traditional Name: 5-nitro-2-[(E)-2-p-cumenylvinyl]benzoic acid Formula: C18H17NO4 MolecularWeight: 311.33188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO4/c1-12(2)14-6-3-13(4-7-14)5-8-15-9-10-16(19(22)23)11-17(15)18(20)21/h3-12H,1-2H3,(H,20,21)/b8-5+