3-[[3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-acryloyl]amino]benzoic acid Formula: C18H11BrN2O5 MolecularWeight: 415.19434

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O)Br

InChI

InChI=1S/C18H11BrN2O5/c19-14-7-16-15(25-9-26-16)6-11(14)4-12(8-20)17(22)21-13-3-1-2-10(5-13)18(23)24/h1-7H,9H2,(H,21,22)(H,23,24)