2-[5-chloranyl-3-(nitromethyl)-2-oxidanylidene-1H-indol-3-yl]-2-cyano-ethanoic acid

Systemtic Name: 2-[5-chloranyl-3-(nitromethyl)-2-oxidanylidene-1H-indol-3-yl]-2-cyano-ethanoic acid Openeye Name: 2-[5-chloro-3-(nitromethyl)-2-oxo-indolin-3-yl]-2-cyano-acetic acid CAS Name: 2-[5-chloro-3-(nitromethyl)-2-oxo-1H-indol-3-yl]-2-cyanoacetic acid IUPAC Name: 2-[5-chloro-3-(nitromethyl)-2-oxo-1H-indol-3-yl]-2-cyanoacetic acid Traditional Name: 2-[5-chloro-2-keto-3-(nitromethyl)indolin-3-yl]-2-cyano-acetic acid Formula: C12H8ClN3O5 MolecularWeight: 309.66202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)C(C(=O)N2)(C[N+](=O)[O-])C(C#N)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Cl)C(C(=O)N2)(C[N+](=O)[O-])C(C#N)C(=O)O

InChI

InChI=1S/C12H8ClN3O5/c13-6-1-2-9-7(3-6)12(5-16(20)21,11(19)15-9)8(4-14)10(17)18/h1-3,8H,5H2,(H,15,19)(H,17,18)