ethyl 6-bromanyl-2-(diazanylmethyl)-1-methyl-5-oxidanyl-indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-2-(diazanylmethyl)-1-methyl-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-2-(hydrazinomethyl)-5-hydroxy-1-methyl-indole-3-carboxylate CAS Name: 6-bromo-2-(hydrazinylmethyl)-5-hydroxy-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-2-(hydrazinylmethyl)-5-hydroxy-1-methylindole-3-carboxylate Traditional Name: 6-bromo-2-(hydrazinomethyl)-5-hydroxy-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C13H16BrN3O3 MolecularWeight: 342.18844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)CNN

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)CNN

InChI

InChI=1S/C13H16BrN3O3/c1-3-20-13(19)12-7-4-11(18)8(14)5-9(7)17(2)10(12)6-16-15/h4-5,16,18H,3,6,15H2,1-2H3