(4-nitrophenyl)methyl benzotriazole-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl benzotriazole-1-carboxylate Openeye Name: (4-nitrophenyl)methyl benzotriazole-1-carboxylate CAS Name: 1-benzotriazolecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl benzotriazole-1-carboxylate Traditional Name: benzotriazole-1-carboxylic acid (4-nitrobenzyl) ester Formula: C14H10N4O4 MolecularWeight: 298.2536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H10N4O4/c19-14(17-13-4-2-1-3-12(13)15-16-17)22-9-10-5-7-11(8-6-10)18(20)21/h1-8H,9H2