2-methylpropyl 4-chloranyl-3-nitro-benzoate

Systemtic Name: 2-methylpropyl 4-chloranyl-3-nitro-benzoate Openeye Name: isobutyl 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid isobutyl ester Formula: C11H12ClNO4 MolecularWeight: 257.67028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12ClNO4/c1-7(2)6-17-11(14)8-3-4-9(12)10(5-8)13(15)16/h3-5,7H,6H2,1-2H3