(4-nitrophenyl)methyl 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 1-ethylbenzotriazole-5-carboxylate Openeye Name: (4-nitrophenyl)methyl 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid (4-nitrobenzyl) ester Formula: C16H14N4O4 MolecularWeight: 326.30676

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])N=N1

InChI

InChI=1S/C16H14N4O4/c1-2-19-15-8-5-12(9-14(15)17-18-19)16(21)24-10-11-3-6-13(7-4-11)20(22)23/h3-9H,2,10H2,1H3