butyl 4-(hydroxymethyl)-3-nitro-benzoate

Systemtic Name: butyl 4-(hydroxymethyl)-3-nitro-benzoate Openeye Name: butyl 4-(hydroxymethyl)-3-nitro-benzoate CAS Name: 4-(hydroxymethyl)-3-nitrobenzoic acid butyl ester IUPAC Name: butyl 4-(hydroxymethyl)-3-nitrobenzoate Traditional Name: 4-methylol-3-nitro-benzoic acid butyl ester Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5/c1-2-3-6-18-12(15)9-4-5-10(8-14)11(7-9)13(16)17/h4-5,7,14H,2-3,6,8H2,1H3