methyl 4-(2-nitropropan-2-yl)benzoate

Systemtic Name: methyl 4-(2-nitropropan-2-yl)benzoate Openeye Name: methyl 4-(1-methyl-1-nitro-ethyl)benzoate CAS Name: 4-(2-nitropropan-2-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(2-nitropropan-2-yl)benzoate Traditional Name: 4-(1-methyl-1-nitro-ethyl)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/c1-11(2,12(14)15)9-6-4-8(5-7-9)10(13)16-3/h4-7H,1-3H3