methyl 3-(benzotriazol-1-ylmethylamino)-4-bromanyl-benzoate

Systemtic Name: methyl 3-(benzotriazol-1-ylmethylamino)-4-bromanyl-benzoate Openeye Name: methyl 3-(benzotriazol-1-ylmethylamino)-4-bromo-benzoate CAS Name: 3-(1-benzotriazolylmethylamino)-4-bromobenzoic acid methyl ester IUPAC Name: methyl 3-(benzotriazol-1-ylmethylamino)-4-bromobenzoate Traditional Name: 3-(benzotriazol-1-ylmethylamino)-4-bromo-benzoic acid methyl ester Formula: C15H13BrN4O2 MolecularWeight: 361.19332

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Br)NCN2C3=CC=CC=C3N=N2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Br)NCN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C15H13BrN4O2/c1-22-15(21)10-6-7-11(16)13(8-10)17-9-20-14-5-3-2-4-12(14)18-19-20/h2-8,17H,9H2,1H3