N-[(5-bromanylthiophen-2-yl)methyl]-4-ethyl-3-nitro-aniline

Systemtic Name: N-[(5-bromanylthiophen-2-yl)methyl]-4-ethyl-3-nitro-aniline Openeye Name: N-[(5-bromo-2-thienyl)methyl]-4-ethyl-3-nitro-aniline CAS Name: N-[(5-bromo-2-thiophenyl)methyl]-4-ethyl-3-nitroaniline IUPAC Name: N-[(5-bromothiophen-2-yl)methyl]-4-ethyl-3-nitroaniline Traditional Name: (5-bromo-2-thienyl)methyl-(4-ethyl-3-nitro-phenyl)amine Formula: C13H13BrN2O2S MolecularWeight: 341.22352

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)NCC2=CC=C(S2)Br)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)NCC2=CC=C(S2)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H13BrN2O2S/c1-2-9-3-4-10(7-12(9)16(17)18)15-8-11-5-6-13(14)19-11/h3-7,15H,2,8H2,1H3