(E)-3-(5-chloranyl-1H-indol-3-yl)-2-cyano-prop-2-enoic acid

Systemtic Name: (E)-3-(5-chloranyl-1H-indol-3-yl)-2-cyano-prop-2-enoic acid Openeye Name: (E)-3-(5-chloro-1H-indol-3-yl)-2-cyano-prop-2-enoic acid CAS Name: (E)-3-(5-chloro-1H-indol-3-yl)-2-cyano-2-propenoic acid IUPAC Name: (E)-3-(5-chloro-1H-indol-3-yl)-2-cyanoprop-2-enoic acid Traditional Name: (E)-3-(5-chloro-1H-indol-3-yl)-2-cyano-acrylic acid Formula: C12H7ClN2O2 MolecularWeight: 246.64918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)C(=CN2)C=C(C#N)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Cl)C(=CN2)/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C12H7ClN2O2/c13-9-1-2-11-10(4-9)8(6-15-11)3-7(5-14)12(16)17/h1-4,6,15H,(H,16,17)/b7-3+