methyl 4-chloranyl-3-dec-1-ynyl-cinnoline-6-carboxylate

Systemtic Name: methyl 4-chloranyl-3-dec-1-ynyl-cinnoline-6-carboxylate Openeye Name: methyl 4-chloro-3-dec-1-ynyl-cinnoline-6-carboxylate CAS Name: 4-chloro-3-dec-1-ynyl-6-cinnolinecarboxylic acid methyl ester IUPAC Name: methyl 4-chloro-3-dec-1-ynylcinnoline-6-carboxylate Traditional Name: 4-chloro-3-dec-1-ynyl-cinnoline-6-carboxylic acid methyl ester Formula: C20H23ClN2O2 MolecularWeight: 358.86182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CC1=C(C2=C(C=CC(=C2)C(=O)OC)N=N1)Cl

Isomeric SMILES

CCCCCCCCC#CC1=C(C2=C(C=CC(=C2)C(=O)OC)N=N1)Cl

InChI

InChI=1S/C20H23ClN2O2/c1-3-4-5-6-7-8-9-10-11-18-19(21)16-14-15(20(24)25-2)12-13-17(16)22-23-18/h12-14H,3-9H2,1-2H3