(2,4-dimethyl-3-propan-2-yl-pentan-3-yl) 4-nitrobenzoate

Systemtic Name: (2,4-dimethyl-3-propan-2-yl-pentan-3-yl) 4-nitrobenzoate Openeye Name: (1,1-diisopropyl-2-methyl-propyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (2,4-dimethyl-3-propan-2-ylpentan-3-yl) ester IUPAC Name: (2,4-dimethyl-3-propan-2-ylpentan-3-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (1,1-diisopropyl-2-methyl-propyl) ester Formula: C17H25NO4 MolecularWeight: 307.3847

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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