(4-pentanoylphenyl) 4-nitrobenzoate

Systemtic Name: (4-pentanoylphenyl) 4-nitrobenzoate Openeye Name: (4-pentanoylphenyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-(1-oxopentyl)phenyl] ester IUPAC Name: (4-pentanoylphenyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (4-valerylphenyl) ester Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO5/c1-2-3-4-17(20)13-7-11-16(12-8-13)24-18(21)14-5-9-15(10-6-14)19(22)23/h5-12H,2-4H2,1H3