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

Systemtic Name: (4-propylphenyl) 4-methyl-3-nitro-benzoate Openeye Name: (4-propylphenyl) 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid (4-propylphenyl) ester IUPAC Name: (4-propylphenyl) 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-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)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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