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

Systemtic Name: (E)-3-(4-chloranyl-3-nitro-phenyl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(4-chloro-3-nitro-phenyl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-1-[4-(2-phenoxyethyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(4-chloro-3-nitrophenyl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)-1-[4-(2-phenoxyethyl)piperazino]prop-2-en-1-one Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=CC=C2)C(=O)C=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCOC2=CC=CC=C2)C(=O)/C=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H22ClN3O4/c22-19-8-6-17(16-20(19)25(27)28)7-9-21(26)24-12-10-23(11-13-24)14-15-29-18-4-2-1-3-5-18/h1-9,16H,10-15H2/b9-7+