methyl 4-(4-tert-butylphenoxy)-3-nitro-benzoate

Systemtic Name: methyl 4-(4-tert-butylphenoxy)-3-nitro-benzoate Openeye Name: methyl 4-(4-tert-butylphenoxy)-3-nitro-benzoate CAS Name: 4-(4-tert-butylphenoxy)-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-(4-tert-butylphenoxy)-3-nitrobenzoate Traditional Name: 4-(4-tert-butylphenoxy)-3-nitro-benzoic acid methyl ester Formula: C18H19NO5 MolecularWeight: 329.34716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

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