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

Systemtic Name: (E)-3-(4-chloranyl-3-nitro-phenyl)-1-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(4-chloro-3-nitro-phenyl)-1-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-1-[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(4-chloro-3-nitrophenyl)-1-[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)-1-[4-(4-methoxy-2-nitro-phenyl)piperazino]prop-2-en-1-one Formula: C20H19ClN4O6 MolecularWeight: 446.84106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)/C=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN4O6/c1-31-15-4-6-17(19(13-15)25(29)30)22-8-10-23(11-9-22)20(26)7-3-14-2-5-16(21)18(12-14)24(27)28/h2-7,12-13H,8-11H2,1H3/b7-3+