1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one

Systemtic Name: 1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one Openeye Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one CAS Name: 1-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-2-[(4-nitrophenyl)thio]-1-propanone IUPAC Name: 1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanylpropan-1-one Traditional Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazino]-2-[(4-nitrophenyl)thio]propan-1-one Formula: C19H19ClN4O5S MolecularWeight: 450.89596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)[N+](=O)[O-])SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN4O5S/c1-13(30-16-5-3-15(4-6-16)23(26)27)19(25)22-10-8-21(9-11-22)17-7-2-14(20)12-18(17)24(28)29/h2-7,12-13H,8-11H2,1H3