1-ethyl-2-methyl-indole; 7-oxidanylidenebicyclo[4.1.0]hepta-1(6),2,4-triene-5-carboxylic acid

Systemtic Name: 1-ethyl-2-methyl-indole; 7-oxidanylidenebicyclo[4.1.0]hepta-1(6),2,4-triene-5-carboxylic acid Openeye Name: 1-ethyl-2-methyl-indole; 7-oxobicyclo[4.1.0]hepta-1(6),2,4-triene-5-carboxylic acid CAS Name: 1-ethyl-2-methylindole; 7-oxo-5-bicyclo[4.1.0]hepta-1(6),2,4-trienecarboxylic acid IUPAC Name: 1-ethyl-2-methylindole; 7-oxobicyclo[4.1.0]hepta-1(6),2,4-triene-5-carboxylic acid Traditional Name: 1-ethyl-2-methyl-indole; 7-ketobicyclo[4.1.0]hepta-1(6),2,4-triene-5-carboxylic acid Formula: C19H17NO3 MolecularWeight: 307.34318

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=CC=CC=C21)C.C1=CC2=C(C2=O)C(=C1)C(=O)O

Isomeric SMILES

CCN1C(=CC2=CC=CC=C21)C.C1=CC2=C(C2=O)C(=C1)C(=O)O

InChI

InChI=1S/C11H13N.C8H4O3/c1-3-12-9(2)8-10-6-4-5-7-11(10)12;9-7-4-2-1-3-5(6(4)7)8(10)11/h4-8H,3H2,1-2H3;1-3H,(H,10,11)