(3-cyanophenyl)methyl 4-tert-butyl-3-nitro-benzoate

Systemtic Name: (3-cyanophenyl)methyl 4-tert-butyl-3-nitro-benzoate Openeye Name: (3-cyanophenyl)methyl 4-tert-butyl-3-nitro-benzoate CAS Name: 4-tert-butyl-3-nitrobenzoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 4-tert-butyl-3-nitrobenzoate Traditional Name: 4-tert-butyl-3-nitro-benzoic acid (3-cyanobenzyl) ester Formula: C19H18N2O4 MolecularWeight: 338.35722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)OCC2=CC=CC(=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)OCC2=CC=CC(=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O4/c1-19(2,3)16-8-7-15(10-17(16)21(23)24)18(22)25-12-14-6-4-5-13(9-14)11-20/h4-10H,12H2,1-3H3