N-(4-butylphenyl)-2-nitro-ethanamide

Systemtic Name: N-(4-butylphenyl)-2-nitro-ethanamide Openeye Name: N-(4-butylphenyl)-2-nitro-acetamide CAS Name: N-(4-butylphenyl)-2-nitroacetamide IUPAC Name: N-(4-butylphenyl)-2-nitroacetamide Traditional Name: N-(4-butylphenyl)-2-nitro-acetamide Formula: C12H16N2O3 MolecularWeight: 236.26704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O3/c1-2-3-4-10-5-7-11(8-6-10)13-12(15)9-14(16)17/h5-8H,2-4,9H2,1H3,(H,13,15)