3-(benzotriazol-1-ylmethylamino)-4-chloranyl-benzoic acid

Systemtic Name: 3-(benzotriazol-1-ylmethylamino)-4-chloranyl-benzoic acid Openeye Name: 3-(benzotriazol-1-ylmethylamino)-4-chloro-benzoic acid CAS Name: 3-(1-benzotriazolylmethylamino)-4-chlorobenzoic acid IUPAC Name: 3-(benzotriazol-1-ylmethylamino)-4-chlorobenzoic acid Traditional Name: 3-(benzotriazol-1-ylmethylamino)-4-chloro-benzoic acid Formula: C14H11ClN4O2 MolecularWeight: 302.71574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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