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

Systemtic Name: sodium 4-[3-methyl-4-[(2E)-2-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonate Openeye Name: sodium 4-[3-methyl-4-[(2E)-2-(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)hydrazino]-5-oxo-4H-pyrazol-1-yl]benzenesulfonate CAS Name: sodium 4-[3-methyl-4-[(2E)-2-(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonate IUPAC Name: sodium 4-[3-methyl-4-[(2E)-2-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonate Traditional Name: sodium 4-[5-keto-4-[(N'E)-N'-(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)hydrazino]-3-methyl-2-pyrazolin-1-yl]besylate Formula: C16H12N5NaO7S MolecularWeight: 441.35055

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1NN=C2C=C(C=CC2=O)[N+](=O)[O-])C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=NN(C(=O)C1N/N=C/2\C=C(C=CC2=O)[N+](=O)[O-])C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H13N5O7S.Na/c1-9-15(18-17-13-8-11(21(24)25)4-7-14(13)22)16(23)20(19-9)10-2-5-12(6-3-10)29(26,27)28;/h2-8,15,18H,1H3,(H,26,27,28);/q;+1/p-1/b17-13+;