pyridin-2-ylmethyl 4-tert-butyl-3-nitro-benzoate

Systemtic Name: pyridin-2-ylmethyl 4-tert-butyl-3-nitro-benzoate Openeye Name: 2-pyridylmethyl 4-tert-butyl-3-nitro-benzoate CAS Name: 4-tert-butyl-3-nitrobenzoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 4-tert-butyl-3-nitrobenzoate Traditional Name: 4-tert-butyl-3-nitro-benzoic acid 2-pyridylmethyl ester Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)OCC2=CC=CC=N2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)OCC2=CC=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O4/c1-17(2,3)14-8-7-12(10-15(14)19(21)22)16(20)23-11-13-6-4-5-9-18-13/h4-10H,11H2,1-3H3