6-chloranyl-3-methyl-1H-indole; 1H-indole-2-carboxylic acid

Systemtic Name: 6-chloranyl-3-methyl-1H-indole; 1H-indole-2-carboxylic acid Openeye Name: 6-chloro-3-methyl-1H-indole; 1H-indole-2-carboxylic acid CAS Name: 6-chloro-3-methyl-1H-indole; 1H-indole-2-carboxylic acid IUPAC Name: 6-chloro-3-methyl-1H-indole; 1H-indole-2-carboxylic acid Traditional Name: 6-chloro-3-methyl-1H-indole; 1H-indole-2-carboxylic acid Formula: C18H15ClN2O2 MolecularWeight: 326.7769

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CNC2=C1C=CC(=C2)Cl.C1=CC=C2C(=C1)C=C(N2)C(=O)O

Isomeric SMILES

CC1=CNC2=C1C=CC(=C2)Cl.C1=CC=C2C(=C1)C=C(N2)C(=O)O

InChI

InChI=1S/C9H8ClN.C9H7NO2/c1-6-5-11-9-4-7(10)2-3-8(6)9;11-9(12)8-5-6-3-1-2-4-7(6)10-8/h2-5,11H,1H3;1-5,10H,(H,11,12)