(phenylmethyl) 5-bromanyl-3-[2-(oxidanylamino)-2-oxidanylidene-ethyl]indole-1-carboxylate

Systemtic Name: (phenylmethyl) 5-bromanyl-3-[2-(oxidanylamino)-2-oxidanylidene-ethyl]indole-1-carboxylate Openeye Name: benzyl 5-bromo-3-[2-(hydroxyamino)-2-oxo-ethyl]indole-1-carboxylate CAS Name: 5-bromo-3-[2-(hydroxyamino)-2-oxoethyl]-1-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-bromo-3-[2-(hydroxyamino)-2-oxoethyl]indole-1-carboxylate Traditional Name: 5-bromo-3-[2-(hydroxyamino)-2-keto-ethyl]indole-1-carboxylic acid benzyl ester Formula: C18H15BrN2O4 MolecularWeight: 403.2267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N2C=C(C3=C2C=CC(=C3)Br)CC(=O)NO

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N2C=C(C3=C2C=CC(=C3)Br)CC(=O)NO

InChI

InChI=1S/C18H15BrN2O4/c19-14-6-7-16-15(9-14)13(8-17(22)20-24)10-21(16)18(23)25-11-12-4-2-1-3-5-12/h1-7,9-10,24H,8,11H2,(H,20,22)