(4-propan-2-ylphenyl) 3-methyl-4-nitro-benzoate

Systemtic Name: (4-propan-2-ylphenyl) 3-methyl-4-nitro-benzoate Openeye Name: (4-isopropylphenyl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (4-propan-2-ylphenyl) ester IUPAC Name: (4-propan-2-ylphenyl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid p-cumenyl ester Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC2=CC=C(C=C2)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC2=CC=C(C=C2)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H17NO4/c1-11(2)13-4-7-15(8-5-13)22-17(19)14-6-9-16(18(20)21)12(3)10-14/h4-11H,1-3H3