4-(benzotriazol-1-ylmethylamino)-2-chloranyl-benzoic acid

Systemtic Name: 4-(benzotriazol-1-ylmethylamino)-2-chloranyl-benzoic acid Openeye Name: 4-(benzotriazol-1-ylmethylamino)-2-chloro-benzoic acid CAS Name: 4-(1-benzotriazolylmethylamino)-2-chlorobenzoic acid IUPAC Name: 4-(benzotriazol-1-ylmethylamino)-2-chlorobenzoic acid Traditional Name: 4-(benzotriazol-1-ylmethylamino)-2-chloro-benzoic acid Formula: C14H11ClN4O2 MolecularWeight: 302.71574

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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)