2-methylpropyl 4-nitrobenzoate

Systemtic Name: 2-methylpropyl 4-nitrobenzoate Openeye Name: isobutyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid isobutyl ester Formula: C11H13NO4 MolecularWeight: 223.22522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO4/c1-8(2)7-16-11(13)9-3-5-10(6-4-9)12(14)15/h3-6,8H,7H2,1-2H3