(3-methyl-4-propan-2-yl-phenyl) 3-nitrobenzoate

Systemtic Name: (3-methyl-4-propan-2-yl-phenyl) 3-nitrobenzoate Openeye Name: (4-isopropyl-3-methyl-phenyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (3-methyl-4-propan-2-ylphenyl) ester IUPAC Name: (3-methyl-4-propan-2-ylphenyl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (4-isopropyl-3-methyl-phenyl) ester Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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