(4-nitrophenyl) 5-chloranylbenzotriazole-2-carboxylate

Systemtic Name: (4-nitrophenyl) 5-chloranylbenzotriazole-2-carboxylate Openeye Name: (4-nitrophenyl) 5-chlorobenzotriazole-2-carboxylate CAS Name: 5-chloro-2-benzotriazolecarboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 5-chlorobenzotriazole-2-carboxylate Traditional Name: 5-chlorobenzotriazole-2-carboxylic acid (4-nitrophenyl) ester Formula: C13H7ClN4O4 MolecularWeight: 318.67208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OC(=O)N2N=C3C=CC(=CC3=N2)Cl

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OC(=O)N2N=C3C=CC(=CC3=N2)Cl

InChI

InChI=1S/C13H7ClN4O4/c14-8-1-6-11-12(7-8)16-17(15-11)13(19)22-10-4-2-9(3-5-10)18(20)21/h1-7H