4-methylpentan-2-yl 4-nitrobenzoate

Systemtic Name: 4-methylpentan-2-yl 4-nitrobenzoate Openeye Name: 1,3-dimethylbutyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 4-methylpentan-2-yl ester IUPAC Name: 4-methylpentan-2-yl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 1,3-dimethylbutyl ester Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-9(2)8-10(3)18-13(15)11-4-6-12(7-5-11)14(16)17/h4-7,9-10H,8H2,1-3H3