4-[(Z)-2-(6-bromanyl-1,3-benzodioxol-5-yl)-1-cyano-ethenyl]benzoic acid

Systemtic Name: 4-[(Z)-2-(6-bromanyl-1,3-benzodioxol-5-yl)-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[(Z)-2-(6-bromo-1,3-benzodioxol-5-yl)-1-cyano-vinyl]benzoic acid CAS Name: 4-[(Z)-2-(6-bromo-1,3-benzodioxol-5-yl)-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[(Z)-2-(6-bromo-1,3-benzodioxol-5-yl)-1-cyanoethenyl]benzoic acid Traditional Name: 4-[(Z)-2-(6-bromo-1,3-benzodioxol-5-yl)-1-cyano-vinyl]benzoic acid Formula: C17H10BrNO4 MolecularWeight: 372.1696

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=C(C#N)C3=CC=C(C=C3)C(=O)O)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C(\C#N)/C3=CC=C(C=C3)C(=O)O)Br

InChI

InChI=1S/C17H10BrNO4/c18-14-7-16-15(22-9-23-16)6-12(14)5-13(8-19)10-1-3-11(4-2-10)17(20)21/h1-7H,9H2,(H,20,21)/b13-5+