(3-methyl-4-propan-2-yl-phenyl) 3-methyl-4-nitro-benzoate

Systemtic Name: (3-methyl-4-propan-2-yl-phenyl) 3-methyl-4-nitro-benzoate Openeye Name: (4-isopropyl-3-methyl-phenyl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (3-methyl-4-propan-2-ylphenyl) ester IUPAC Name: (3-methyl-4-propan-2-ylphenyl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (4-isopropyl-3-methyl-phenyl) ester Formula: C18H19NO4 MolecularWeight: 313.34776

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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)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO4/c1-11(2)16-7-6-15(10-12(16)3)23-18(20)14-5-8-17(19(21)22)13(4)9-14/h5-11H,1-4H3