(4-cyanophenyl)methyl 4-(benzotriazol-1-yl)-3-nitro-benzoate

Systemtic Name: (4-cyanophenyl)methyl 4-(benzotriazol-1-yl)-3-nitro-benzoate Openeye Name: (4-cyanophenyl)methyl 4-(benzotriazol-1-yl)-3-nitro-benzoate CAS Name: 4-(1-benzotriazolyl)-3-nitrobenzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 4-(benzotriazol-1-yl)-3-nitrobenzoate Traditional Name: 4-(benzotriazol-1-yl)-3-nitro-benzoic acid (4-cyanobenzyl) ester Formula: C21H13N5O4 MolecularWeight: 399.35902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C3=C(C=C(C=C3)C(=O)OCC4=CC=C(C=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C3=C(C=C(C=C3)C(=O)OCC4=CC=C(C=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H13N5O4/c22-12-14-5-7-15(8-6-14)13-30-21(27)16-9-10-19(20(11-16)26(28)29)25-18-4-2-1-3-17(18)23-24-25/h1-11H,13H2