1-[4-nitro-5-[(phenylmethyl)amino]thiophen-2-yl]ethanone

Systemtic Name: 1-[4-nitro-5-[(phenylmethyl)amino]thiophen-2-yl]ethanone Openeye Name: 1-[5-(benzylamino)-4-nitro-2-thienyl]ethanone CAS Name: 1-[4-nitro-5-[(phenylmethyl)amino]-2-thiophenyl]ethanone IUPAC Name: 1-[5-(benzylamino)-4-nitrothiophen-2-yl]ethanone Traditional Name: 1-[5-(benzylamino)-4-nitro-2-thienyl]ethanone Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(S1)NCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(S1)NCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O3S/c1-9(16)12-7-11(15(17)18)13(19-12)14-8-10-5-3-2-4-6-10/h2-7,14H,8H2,1H3