(5-chloranyl-2-nitro-phenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: (5-chloranyl-2-nitro-phenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (5-chloro-2-nitro-phenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (5-chloro-2-nitrophenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (5-chloro-2-nitrophenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (5-chloro-2-nitro-phenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C18H14ClN5O5S MolecularWeight: 447.85226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)C4=C(C=CC(=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)C4=C(C=CC(=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H14ClN5O5S/c19-11-1-4-15(24(28)29)13(9-11)17(25)21-5-7-22(8-6-21)18-20-14-3-2-12(23(26)27)10-16(14)30-18/h1-4,9-10H,5-8H2