methyl 2-nitro-4-propan-2-yl-benzoate

Systemtic Name: methyl 2-nitro-4-propan-2-yl-benzoate Openeye Name: methyl 4-isopropyl-2-nitro-benzoate CAS Name: 2-nitro-4-propan-2-ylbenzoic acid methyl ester IUPAC Name: methyl 2-nitro-4-propan-2-ylbenzoate Traditional Name: 4-isopropyl-2-nitro-benzoic acid methyl ester Formula: C11H13NO4 MolecularWeight: 223.22522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO4/c1-7(2)8-4-5-9(11(13)16-3)10(6-8)12(14)15/h4-7H,1-3H3