6-azidohexyl [3-[(E)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]indol-1-yl]methyl carbonate

Systemtic Name: 6-azidohexyl [3-[(E)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]indol-1-yl]methyl carbonate Openeye Name: 6-azidohexyl [3-[(E)-(2-oxoindolin-3-ylidene)methyl]indol-1-yl]methyl carbonate CAS Name: carbonic acid 6-azidohexyl [3-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]-1-indolyl]methyl ester IUPAC Name: 6-azidohexyl [3-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]methyl carbonate Traditional Name: carbonic acid 6-azidohexyl [3-[(E)-(2-ketoindolin-3-ylidene)methyl]indol-1-yl]methyl ester Formula: C25H25N5O4 MolecularWeight: 459.4971

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC3=CN(C4=CC=CC=C43)COC(=O)OCCCCCCN=[N+]=[N-])C(=O)N2

Isomeric SMILES

C1=CC=C2C(=C1)/C(=C\C3=CN(C4=CC=CC=C43)COC(=O)OCCCCCCN=[N+]=[N-])/C(=O)N2

InChI

InChI=1S/C25H25N5O4/c26-29-27-13-7-1-2-8-14-33-25(32)34-17-30-16-18(19-9-4-6-12-23(19)30)15-21-20-10-3-5-11-22(20)28-24(21)31/h3-6,9-12,15-16H,1-2,7-8,13-14,17H2,(H,28,31)/b21-15+