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

Systemtic Name: (3-methyl-4-propan-2-yl-phenyl) 2-methyl-3-nitro-benzoate Openeye Name: (4-isopropyl-3-methyl-phenyl) 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid (3-methyl-4-propan-2-ylphenyl) ester IUPAC Name: (3-methyl-4-propan-2-ylphenyl) 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-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)OC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C)C(C)C

Isomeric SMILES

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

InChI

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