methyl 2-nitro-6-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzoate

Systemtic Name: methyl 2-nitro-6-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzoate Openeye Name: methyl 2-nitro-6-(3-oxopiperazin-1-yl)sulfonyl-benzoate CAS Name: 2-nitro-6-[(3-oxo-1-piperazinyl)sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-nitro-6-(3-oxopiperazin-1-yl)sulfonylbenzoate Traditional Name: 2-(3-ketopiperazino)sulfonyl-6-nitro-benzoic acid methyl ester Formula: C12H13N3O7S MolecularWeight: 343.31252

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC=C1S(=O)(=O)N2CCNC(=O)C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C=CC=C1S(=O)(=O)N2CCNC(=O)C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O7S/c1-22-12(17)11-8(15(18)19)3-2-4-9(11)23(20,21)14-6-5-13-10(16)7-14/h2-4H,5-7H2,1H3,(H,13,16)