2-[[3-nitro-4-[2-[(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]phenyl]sulfonylamino]benzoate

Systemtic Name: 2-[[3-nitro-4-[2-[(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]phenyl]sulfonylamino]benzoate Openeye Name: 2-[[4-[2-[(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-3-nitro-phenyl]sulfonylamino]benzoate CAS Name: 2-[[4-[(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-3-nitrophenyl]sulfonylamino]benzoate IUPAC Name: 2-[[4-[2-[(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-3-nitrophenyl]sulfonylamino]benzoate Traditional Name: 2-[[4-[N'-[(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-3-nitro-phenyl]sulfonylamino]benzoate Formula: C20H15N4O8S- MolecularWeight: 471.4201

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])NS(=O)(=O)C2=CC(=C(C=C2)NNC=C3C=CC(=O)C(=C3)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])NS(=O)(=O)C2=CC(=C(C=C2)NNC=C3C=CC(=O)C(=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O8S/c25-18-8-5-12(9-19(18)26)11-21-22-16-7-6-13(10-17(16)24(29)30)33(31,32)23-15-4-2-1-3-14(15)20(27)28/h1-11,21-23,26H,(H,27,28)/p-1