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

Systemtic Name: 4-[[(E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)-2-cyano-acryloyl]amino]benzoic acid Formula: C18H11ClN2O5 MolecularWeight: 370.74334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)C(=O)O)Cl

InChI

InChI=1S/C18H11ClN2O5/c19-14-6-10(7-15-16(14)26-9-25-15)5-12(8-20)17(22)21-13-3-1-11(2-4-13)18(23)24/h1-7H,9H2,(H,21,22)(H,23,24)/b12-5+