4-(benzotriazol-1-ylmethylamino)-2-chloranyl-benzoate

Systemtic Name: 4-(benzotriazol-1-ylmethylamino)-2-chloranyl-benzoate Openeye Name: 4-(benzotriazol-1-ylmethylamino)-2-chloro-benzoate CAS Name: 4-(1-benzotriazolylmethylamino)-2-chlorobenzoate IUPAC Name: 4-(benzotriazol-1-ylmethylamino)-2-chlorobenzoate Traditional Name: 4-(benzotriazol-1-ylmethylamino)-2-chloro-benzoate Formula: C14H10ClN4O2- MolecularWeight: 301.7078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CNC3=CC(=C(C=C3)C(=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CNC3=CC(=C(C=C3)C(=O)[O-])Cl

InChI

InChI=1S/C14H11ClN4O2/c15-11-7-9(5-6-10(11)14(20)21)16-8-19-13-4-2-1-3-12(13)17-18-19/h1-7,16H,8H2,(H,20,21)/p-1