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

Systemtic Name: N-[(4-bromanylthiophen-2-yl)methyl]-3-nitro-aniline Openeye Name: N-[(4-bromo-2-thienyl)methyl]-3-nitro-aniline CAS Name: N-[(4-bromo-2-thiophenyl)methyl]-3-nitroaniline IUPAC Name: N-[(4-bromothiophen-2-yl)methyl]-3-nitroaniline Traditional Name: (4-bromo-2-thienyl)methyl-(3-nitrophenyl)amine Formula: C11H9BrN2O2S MolecularWeight: 313.17036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NCC2=CC(=CS2)Br

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NCC2=CC(=CS2)Br

InChI

InChI=1S/C11H9BrN2O2S/c12-8-4-11(17-7-8)6-13-9-2-1-3-10(5-9)14(15)16/h1-5,7,13H,6H2