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

Systemtic Name: (phenylmethyl) 5-bromanyl-3-[3-(oxidanylamino)-2-oxidanylidene-propyl]indole-1-carboxylate Openeye Name: benzyl 5-bromo-3-[3-(hydroxyamino)-2-oxo-propyl]indole-1-carboxylate CAS Name: 5-bromo-3-[3-(hydroxyamino)-2-oxopropyl]-1-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-bromo-3-[3-(hydroxyamino)-2-oxopropyl]indole-1-carboxylate Traditional Name: 5-bromo-3-[3-(hydroxyamino)-2-keto-propyl]indole-1-carboxylic acid benzyl ester Formula: C19H17BrN2O4 MolecularWeight: 417.25328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N2C=C(C3=C2C=CC(=C3)Br)CC(=O)CNO

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N2C=C(C3=C2C=CC(=C3)Br)CC(=O)CNO

InChI

InChI=1S/C19H17BrN2O4/c20-15-6-7-18-17(9-15)14(8-16(23)10-21-25)11-22(18)19(24)26-12-13-4-2-1-3-5-13/h1-7,9,11,21,25H,8,10,12H2