4-(4-tert-butyl-2-nitro-phenyl)benzoate

Systemtic Name: 4-(4-tert-butyl-2-nitro-phenyl)benzoate Openeye Name: 4-(4-tert-butyl-2-nitro-phenyl)benzoate CAS Name: 4-(4-tert-butyl-2-nitrophenyl)benzoate IUPAC Name: 4-(4-tert-butyl-2-nitrophenyl)benzoate Traditional Name: 4-(4-tert-butyl-2-nitro-phenyl)benzoate Formula: C17H16NO4- MolecularWeight: 298.31324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO4/c1-17(2,3)13-8-9-14(15(10-13)18(21)22)11-4-6-12(7-5-11)16(19)20/h4-10H,1-3H3,(H,19,20)/p-1