1-[4-(butylamino)-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-(butylamino)-3-nitro-phenyl]ethanone Openeye Name: 1-[4-(butylamino)-3-nitro-phenyl]ethanone CAS Name: 1-[4-(butylamino)-3-nitrophenyl]ethanone IUPAC Name: 1-[4-(butylamino)-3-nitrophenyl]ethanone Traditional Name: 1-[4-(butylamino)-3-nitro-phenyl]ethanone Formula: C12H16N2O3 MolecularWeight: 236.26704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)C(=O)C)[N+](=O)[O-]

InChI

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