1-(5-chloranylthiophen-2-yl)-4-[4-(4-nitrophenyl)piperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-4-[4-(4-nitrophenyl)piperazin-1-yl]butane-1,4-dione Openeye Name: 1-(5-chloro-2-thienyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-(5-chloro-2-thiophenyl)-4-[4-(4-nitrophenyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(5-chlorothiophen-2-yl)-4-[4-(4-nitrophenyl)piperazin-1-yl]butane-1,4-dione Traditional Name: 1-(5-chloro-2-thienyl)-4-[4-(4-nitrophenyl)piperazino]butane-1,4-dione Formula: C18H18ClN3O4S MolecularWeight: 407.87122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C18H18ClN3O4S/c19-17-7-6-16(27-17)15(23)5-8-18(24)21-11-9-20(10-12-21)13-1-3-14(4-2-13)22(25)26/h1-4,6-7H,5,8-12H2