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

Systemtic Name: 4-[3-methyl-4-[(2E)-2-(3-methyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-[3-methyl-4-[(2E)-2-(3-methyl-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)hydrazino]-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid CAS Name: 4-[3-methyl-4-[(2E)-2-(3-methyl-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid IUPAC Name: 4-[3-methyl-4-[(2E)-2-(3-methyl-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid Traditional Name: 4-[5-keto-4-[(N'E)-N'-(6-keto-3-methyl-5-nitro-cyclohexa-2,4-dien-1-ylidene)hydrazino]-3-methyl-2-pyrazolin-1-yl]besylic acid Formula: C17H15N5O7S MolecularWeight: 433.3953

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NNC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C)C(=O)C(=C1)[N+](=O)[O-]

Isomeric SMILES

CC1=C/C(=N\NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C)/C(=O)C(=C1)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O7S/c1-9-7-13(16(23)14(8-9)22(25)26)18-19-15-10(2)20-21(17(15)24)11-3-5-12(6-4-11)30(27,28)29/h3-8,15,19H,1-2H3,(H,27,28,29)/b18-13+