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

Systemtic Name: (3,5-dinitrophenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (3,5-dinitrophenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (3,5-dinitrophenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (3,5-dinitrophenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (3,5-dinitrophenyl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C18H14N6O7S MolecularWeight: 458.40476

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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=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H14N6O7S/c25-17(11-7-13(23(28)29)9-14(8-11)24(30)31)20-3-5-21(6-4-20)18-19-15-2-1-12(22(26)27)10-16(15)32-18/h1-2,7-10H,3-6H2