2-(6-chloranyl-1-ethyl-2-oxidanylidene-3H-indol-1-ium-1-yl)ethanoate

Systemtic Name: 2-(6-chloranyl-1-ethyl-2-oxidanylidene-3H-indol-1-ium-1-yl)ethanoate Openeye Name: 2-(6-chloro-1-ethyl-2-oxo-indolin-1-ium-1-yl)acetate CAS Name: 2-(6-chloro-1-ethyl-2-oxo-3H-indol-1-ium-1-yl)acetate IUPAC Name: 2-(6-chloro-1-ethyl-2-oxo-3H-indol-1-ium-1-yl)acetate Traditional Name: 2-(6-chloro-1-ethyl-2-keto-indolin-1-ium-1-yl)acetate Formula: C12H12ClNO3 MolecularWeight: 253.68158

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(=O)CC2=C1C=C(C=C2)Cl)CC(=O)[O-]

Isomeric SMILES

CC[N+]1(C(=O)CC2=C1C=C(C=C2)Cl)CC(=O)[O-]

InChI

InChI=1S/C12H12ClNO3/c1-2-14(7-12(16)17)10-6-9(13)4-3-8(10)5-11(14)15/h3-4,6H,2,5,7H2,1H3