(4-nitrophenyl)methyl 4-(benzotriazol-1-ylmethyl)benzoate

Systemtic Name: (4-nitrophenyl)methyl 4-(benzotriazol-1-ylmethyl)benzoate Openeye Name: (4-nitrophenyl)methyl 4-(benzotriazol-1-ylmethyl)benzoate CAS Name: 4-(1-benzotriazolylmethyl)benzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-(benzotriazol-1-ylmethyl)benzoate Traditional Name: 4-(benzotriazol-1-ylmethyl)benzoic acid (4-nitrobenzyl) ester Formula: C21H16N4O4 MolecularWeight: 388.37614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CC3=CC=C(C=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CC3=CC=C(C=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O4/c26-21(29-14-16-7-11-18(12-8-16)25(27)28)17-9-5-15(6-10-17)13-24-20-4-2-1-3-19(20)22-23-24/h1-12H,13-14H2