4-[4-[2-(5-chloranyl-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonate

Systemtic Name: 4-[4-[2-(5-chloranyl-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonate Openeye Name: 4-[4-[2-(5-chloro-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)hydrazino]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonate CAS Name: 4-[4-[2-(5-chloro-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonate IUPAC Name: 4-[4-[2-(5-chloro-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonate Traditional Name: 4-[4-[N'-(5-chloro-6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)hydrazino]-5-keto-3-methyl-3-pyrazolin-1-yl]besylate Formula: C16H11ClN5O7S- MolecularWeight: 452.80584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)[O-])NN=C3C=C(C=C(C3=O)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)[O-])NN=C3C=C(C=C(C3=O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H12ClN5O7S/c1-8-14(19-18-13-7-10(22(25)26)6-12(17)15(13)23)16(24)21(20-8)9-2-4-11(5-3-9)30(27,28)29/h2-7,19-20H,1H3,(H,27,28,29)/p-1