3-methylbutan-2-yl 4-nitrobenzoate

Systemtic Name: 3-methylbutan-2-yl 4-nitrobenzoate Openeye Name: 1,2-dimethylpropyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 3-methylbutan-2-yl ester IUPAC Name: 3-methylbutan-2-yl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 1,2-dimethylpropyl ester Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4/c1-8(2)9(3)17-12(14)10-4-6-11(7-5-10)13(15)16/h4-9H,1-3H3