6-bromanyl-1-methyl-2-[(2-methylimidazol-1-yl)methyl]-5-oxidanyl-indole-3-carboxylate

Systemtic Name: 6-bromanyl-1-methyl-2-[(2-methylimidazol-1-yl)methyl]-5-oxidanyl-indole-3-carboxylate Openeye Name: 6-bromo-5-hydroxy-1-methyl-2-[(2-methylimidazol-1-yl)methyl]indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-1-methyl-2-[(2-methyl-1-imidazolyl)methyl]-3-indolecarboxylate IUPAC Name: 6-bromo-5-hydroxy-1-methyl-2-[(2-methylimidazol-1-yl)methyl]indole-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-1-methyl-2-[(2-methylimidazol-1-yl)methyl]indole-3-carboxylate Formula: C15H13BrN3O3- MolecularWeight: 363.18602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CC2=C(C3=CC(=C(C=C3N2C)Br)O)C(=O)[O-]

Isomeric SMILES

CC1=NC=CN1CC2=C(C3=CC(=C(C=C3N2C)Br)O)C(=O)[O-]

InChI

InChI=1S/C15H14BrN3O3/c1-8-17-3-4-19(8)7-12-14(15(21)22)9-5-13(20)10(16)6-11(9)18(12)2/h3-6,20H,7H2,1-2H3,(H,21,22)/p-1