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

Systemtic Name: methyl 4-(4-acetyloxybutyl)-3-nitro-benzoate Openeye Name: methyl 4-(4-acetoxybutyl)-3-nitro-benzoate CAS Name: 4-(4-acetyloxybutyl)-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-(4-acetyloxybutyl)-3-nitrobenzoate Traditional Name: 4-(4-acetoxybutyl)-3-nitro-benzoic acid methyl ester Formula: C14H17NO6 MolecularWeight: 295.28788

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCCCCC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C14H17NO6/c1-10(16)21-8-4-3-5-11-6-7-12(14(17)20-2)9-13(11)15(18)19/h6-7,9H,3-5,8H2,1-2H3