tert-butyl 3-(4-tert-butyl-2-nitro-phenyl)propanoate

Systemtic Name: tert-butyl 3-(4-tert-butyl-2-nitro-phenyl)propanoate Openeye Name: tert-butyl 3-(4-tert-butyl-2-nitro-phenyl)propanoate CAS Name: 3-(4-tert-butyl-2-nitrophenyl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-tert-butyl-2-nitrophenyl)propanoate Traditional Name: 3-(4-tert-butyl-2-nitro-phenyl)propionic acid tert-butyl ester Formula: C17H25NO4 MolecularWeight: 307.3847

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO4/c1-16(2,3)13-9-7-12(14(11-13)18(20)21)8-10-15(19)22-17(4,5)6/h7,9,11H,8,10H2,1-6H3