2,2-dimethylpropyl 4-chloranyl-3-nitro-benzoate

Systemtic Name: 2,2-dimethylpropyl 4-chloranyl-3-nitro-benzoate Openeye Name: 2,2-dimethylpropyl 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid neopentyl ester Formula: C12H14ClNO4 MolecularWeight: 271.69686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClNO4/c1-12(2,3)7-18-11(15)8-4-5-9(13)10(6-8)14(16)17/h4-6H,7H2,1-3H3