(2-tert-butyl-4-methoxy-phenyl) 3-nitrobenzoate

Systemtic Name: (2-tert-butyl-4-methoxy-phenyl) 3-nitrobenzoate Openeye Name: (2-tert-butyl-4-methoxy-phenyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (2-tert-butyl-4-methoxyphenyl) ester IUPAC Name: (2-tert-butyl-4-methoxyphenyl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (2-tert-butyl-4-methoxy-phenyl) ester Formula: C18H19NO5 MolecularWeight: 329.34716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO5/c1-18(2,3)15-11-14(23-4)8-9-16(15)24-17(20)12-6-5-7-13(10-12)19(21)22/h5-11H,1-4H3