4-(2-fluoranyl-5-nitro-phenyl)-N-(phenylmethyl)butan-1-amine

Systemtic Name: 4-(2-fluoranyl-5-nitro-phenyl)-N-(phenylmethyl)butan-1-amine Openeye Name: N-benzyl-4-(2-fluoro-5-nitro-phenyl)butan-1-amine CAS Name: 4-(2-fluoro-5-nitrophenyl)-N-(phenylmethyl)-1-butanamine IUPAC Name: N-benzyl-4-(2-fluoro-5-nitrophenyl)butan-1-amine Traditional Name: benzyl-[4-(2-fluoro-5-nitro-phenyl)butyl]amine Formula: C17H19FN2O2 MolecularWeight: 302.343363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCCCCC2=C(C=CC(=C2)[N+](=O)[O-])F

Isomeric SMILES

C1=CC=C(C=C1)CNCCCCC2=C(C=CC(=C2)[N+](=O)[O-])F

InChI

InChI=1S/C17H19FN2O2/c18-17-10-9-16(20(21)22)12-15(17)8-4-5-11-19-13-14-6-2-1-3-7-14/h1-3,6-7,9-10,12,19H,4-5,8,11,13H2