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

Systemtic Name: (4-propan-2-ylphenyl)methyl 3-methyl-2-nitro-benzoate Openeye Name: (4-isopropylphenyl)methyl 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid (4-propan-2-ylphenyl)methyl ester IUPAC Name: (4-propan-2-ylphenyl)methyl 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid (4-isopropylbenzyl) 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)OCC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C18H19NO4/c1-12(2)15-9-7-14(8-10-15)11-23-18(20)16-6-4-5-13(3)17(16)19(21)22/h4-10,12H,11H2,1-3H3