2-[[3-nitro-4-[2-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]phenyl]sulfonylamino]benzoate

Systemtic Name: 2-[[3-nitro-4-[2-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]phenyl]sulfonylamino]benzoate Openeye Name: 2-[[3-nitro-4-[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]phenyl]sulfonylamino]benzoate CAS Name: 2-[[3-nitro-4-[(6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]phenyl]sulfonylamino]benzoate IUPAC Name: 2-[[3-nitro-4-[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]phenyl]sulfonylamino]benzoate Traditional Name: 2-[[4-[N'-[(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-3-nitro-phenyl]sulfonylamino]benzoate Formula: C20H15N4O7S- MolecularWeight: 455.4207

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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=CC3=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=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O7S/c25-19-8-4-1-5-13(19)12-21-22-17-10-9-14(11-18(17)24(28)29)32(30,31)23-16-7-3-2-6-15(16)20(26)27/h1-12,21-23H,(H,26,27)/p-1