(E)-1-[4-(2-chloranyl-4-nitro-phenyl)carbonylpiperazin-1-yl]-3-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-(2-chloranyl-4-nitro-phenyl)carbonylpiperazin-1-yl]-3-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[4-(2-chloro-4-nitro-benzoyl)piperazin-1-yl]-3-(2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[4-[(2-chloro-4-nitrophenyl)-oxomethyl]-1-piperazinyl]-3-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-1-[4-(2-chloro-4-nitrobenzoyl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-1-[4-(2-chloro-4-nitro-benzoyl)piperazino]-3-(2-thienyl)prop-2-en-1-one Formula: C18H16ClN3O4S MolecularWeight: 405.85534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC2=CC=CS2)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCN1C(=O)/C=C/C2=CC=CS2)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H16ClN3O4S/c19-16-12-13(22(25)26)3-5-15(16)18(24)21-9-7-20(8-10-21)17(23)6-4-14-2-1-11-27-14/h1-6,11-12H,7-10H2/b6-4+