2-[[(E)-3-(7-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-3-(7-bromanyl-1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-3-(7-bromo-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-(7-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(=CC(=C2)C=C(C#N)C(=O)NC3=CC=CC=C3C(=O)O)Br

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)/C=C(\C#N)/C(=O)NC3=CC=CC=C3C(=O)O)Br

InChI

InChI=1S/C18H11BrN2O5/c19-13-6-10(7-15-16(13)26-9-25-15)5-11(8-20)17(22)21-14-4-2-1-3-12(14)18(23)24/h1-7H,9H2,(H,21,22)(H,23,24)/b11-5+