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

Systemtic Name: (3-methyl-4-propan-2-yl-phenyl) 3-methyl-2-nitro-benzoate Openeye Name: (4-isopropyl-3-methyl-phenyl) 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid (3-methyl-4-propan-2-ylphenyl) ester IUPAC Name: (3-methyl-4-propan-2-ylphenyl) 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-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=CC=CC(=C1[N+](=O)[O-])C(=O)OC2=CC(=C(C=C2)C(C)C)C

Isomeric SMILES

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

InChI

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