pentyl 3-methyl-2-nitro-benzoate

Systemtic Name: pentyl 3-methyl-2-nitro-benzoate Openeye Name: pentyl 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid pentyl ester IUPAC Name: pentyl 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid amyl ester Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(C(=CC=C1)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCOC(=O)C1=C(C(=CC=C1)C)[N+](=O)[O-]

InChI

InChI=1S/C13H17NO4/c1-3-4-5-9-18-13(15)11-8-6-7-10(2)12(11)14(16)17/h6-8H,3-5,9H2,1-2H3