[3-[(4-chloranyl-3-ethynyl-phenyl)methyl]-5-oxidanyl-1H-indol-2-yl] hydrogen carbonate

Systemtic Name: [3-[(4-chloranyl-3-ethynyl-phenyl)methyl]-5-oxidanyl-1H-indol-2-yl] hydrogen carbonate Openeye Name: [3-[(4-chloro-3-ethynyl-phenyl)methyl]-5-hydroxy-1H-indol-2-yl] hydrogen carbonate CAS Name: carbonic acid [3-[(4-chloro-3-ethynylphenyl)methyl]-5-hydroxy-1H-indol-2-yl] ester IUPAC Name: [3-[(4-chloro-3-ethynylphenyl)methyl]-5-hydroxy-1H-indol-2-yl] hydrogen carbonate Traditional Name: carbonic acid [3-(4-chloro-3-ethynyl-benzyl)-5-hydroxy-1H-indol-2-yl] ester Formula: C18H12ClNO4 MolecularWeight: 341.74518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C(C=CC(=C1)CC2=C(NC3=C2C=C(C=C3)O)OC(=O)O)Cl

Isomeric SMILES

C#CC1=C(C=CC(=C1)CC2=C(NC3=C2C=C(C=C3)O)OC(=O)O)Cl

InChI

InChI=1S/C18H12ClNO4/c1-2-11-7-10(3-5-15(11)19)8-14-13-9-12(21)4-6-16(13)20-17(14)24-18(22)23/h1,3-7,9,20-21H,8H2,(H,22,23)