5-acetyloxy-4-(bromomethyl)-9-ethanoyl-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 5-acetyloxy-4-(bromomethyl)-9-ethanoyl-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 5-acetoxy-9-acetyl-4-(bromomethyl)pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 9-acetyl-5-acetyloxy-4-(bromomethyl)-3-pyrido[3,4-b]indolecarboxylic acid IUPAC Name: 9-acetyl-5-acetyloxy-4-(bromomethyl)pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 5-acetoxy-9-acetyl-4-(bromomethyl)-$b-carboline-3-carboxylic acid Formula: C17H13BrN2O5 MolecularWeight: 405.19952

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C2=C(C(=CC=C2)OC(=O)C)C3=C(C(=NC=C31)C(=O)O)CBr

Isomeric SMILES

CC(=O)N1C2=C(C(=CC=C2)OC(=O)C)C3=C(C(=NC=C31)C(=O)O)CBr

InChI

InChI=1S/C17H13BrN2O5/c1-8(21)20-11-4-3-5-13(25-9(2)22)15(11)14-10(6-18)16(17(23)24)19-7-12(14)20/h3-5,7H,6H2,1-2H3,(H,23,24)