2-(4-methylphenyl)propan-2-yl 4-nitrobenzoate

Systemtic Name: 2-(4-methylphenyl)propan-2-yl 4-nitrobenzoate Openeye Name: [1-methyl-1-(p-tolyl)ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-(4-methylphenyl)propan-2-yl ester IUPAC Name: 2-(4-methylphenyl)propan-2-yl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [1-methyl-1-(p-tolyl)ethyl] ester Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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