2-nitro-5-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]carbonyl-phenolate

Systemtic Name: 2-nitro-5-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]carbonyl-phenolate Openeye Name: 2-nitro-5-[4-(3-nitrophenyl)sulfonylpiperazine-1-carbonyl]phenolate CAS Name: 2-nitro-5-[[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-oxomethyl]phenolate IUPAC Name: 2-nitro-5-[4-(3-nitrophenyl)sulfonylpiperazine-1-carbonyl]phenolate Traditional Name: 2-nitro-5-[4-(3-nitrophenyl)sulfonylpiperazine-1-carbonyl]phenolate Formula: C17H15N4O8S- MolecularWeight: 435.388

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])[O-])S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])[O-])S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O8S/c22-16-10-12(4-5-15(16)21(26)27)17(23)18-6-8-19(9-7-18)30(28,29)14-3-1-2-13(11-14)20(24)25/h1-5,10-11,22H,6-9H2/p-1