4-[1-cyano-2-(3-methoxy-5-nitro-4-oxidanyl-phenyl)ethenyl]benzoic acid

Systemtic Name: 4-[1-cyano-2-(3-methoxy-5-nitro-4-oxidanyl-phenyl)ethenyl]benzoic acid Openeye Name: 4-[1-cyano-2-(4-hydroxy-3-methoxy-5-nitro-phenyl)vinyl]benzoic acid CAS Name: 4-[1-cyano-2-(4-hydroxy-3-methoxy-5-nitrophenyl)ethenyl]benzoic acid IUPAC Name: 4-[1-cyano-2-(4-hydroxy-3-methoxy-5-nitrophenyl)ethenyl]benzoic acid Traditional Name: 4-[1-cyano-2-(4-hydroxy-3-methoxy-5-nitro-phenyl)vinyl]benzoic acid Formula: C17H12N2O6 MolecularWeight: 340.28698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C(C#N)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C(C#N)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H12N2O6/c1-25-15-8-10(7-14(16(15)20)19(23)24)6-13(9-18)11-2-4-12(5-3-11)17(21)22/h2-8,20H,1H3,(H,21,22)