2-(4-cyanophenoxy)-2-(5-nitro-2-sulfanyl-phenyl)ethanoic acid

Systemtic Name: 2-(4-cyanophenoxy)-2-(5-nitro-2-sulfanyl-phenyl)ethanoic acid Openeye Name: 2-(4-cyanophenoxy)-2-(5-nitro-2-sulfanyl-phenyl)acetic acid CAS Name: 2-(4-cyanophenoxy)-2-(2-mercapto-5-nitrophenyl)acetic acid IUPAC Name: 2-(4-cyanophenoxy)-2-(5-nitro-2-sulfanylphenyl)acetic acid Traditional Name: 2-(4-cyanophenoxy)-2-(2-mercapto-5-nitro-phenyl)acetic acid Formula: C15H10N2O5S MolecularWeight: 330.3153

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)OC(C2=C(C=CC(=C2)[N+](=O)[O-])S)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C#N)OC(C2=C(C=CC(=C2)[N+](=O)[O-])S)C(=O)O

InChI

InChI=1S/C15H10N2O5S/c16-8-9-1-4-11(5-2-9)22-14(15(18)19)12-7-10(17(20)21)3-6-13(12)23/h1-7,14,23H,(H,18,19)