(4-propylphenyl) 3-methyl-4-nitro-benzoate

Systemtic Name: (4-propylphenyl) 3-methyl-4-nitro-benzoate Openeye Name: (4-propylphenyl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (4-propylphenyl) ester IUPAC Name: (4-propylphenyl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (4-propylphenyl) ester Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C17H17NO4/c1-3-4-13-5-8-15(9-6-13)22-17(19)14-7-10-16(18(20)21)12(2)11-14/h5-11H,3-4H2,1-2H3