(4-nitro-3-oxidanyl-phenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: (4-nitro-3-oxidanyl-phenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone Openeye Name: (3-hydroxy-4-nitro-phenyl)-[4-(3-thienylmethyl)piperazin-1-yl]methanone CAS Name: (3-hydroxy-4-nitrophenyl)-[4-(3-thiophenylmethyl)-1-piperazinyl]methanone IUPAC Name: (3-hydroxy-4-nitrophenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone Traditional Name: (3-hydroxy-4-nitro-phenyl)-[4-(3-thenyl)piperazino]methanone Formula: C16H17N3O4S MolecularWeight: 347.38888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC=C2)C(=O)C3=CC(=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1CN(CCN1CC2=CSC=C2)C(=O)C3=CC(=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C16H17N3O4S/c20-15-9-13(1-2-14(15)19(22)23)16(21)18-6-4-17(5-7-18)10-12-3-8-24-11-12/h1-3,8-9,11,20H,4-7,10H2