(4E)-4-[[5-ethoxy-2-(4-nitrophenyl)-3-oxidanylidene-1H-pyrazol-4-yl]hydrazinylidene]-3-oxidanylidene-naphthalene-1-sulfonic acid

Systemtic Name: (4E)-4-[[5-ethoxy-2-(4-nitrophenyl)-3-oxidanylidene-1H-pyrazol-4-yl]hydrazinylidene]-3-oxidanylidene-naphthalene-1-sulfonic acid Openeye Name: (4E)-4-[[5-ethoxy-2-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]hydrazono]-3-oxo-naphthalene-1-sulfonic acid CAS Name: (4E)-4-[[5-ethoxy-2-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]hydrazinylidene]-3-oxo-1-naphthalenesulfonic acid IUPAC Name: (4E)-4-[[5-ethoxy-2-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]hydrazinylidene]-3-oxonaphthalene-1-sulfonic acid Traditional Name: (4E)-4-[[3-ethoxy-5-keto-1-(4-nitrophenyl)-3-pyrazolin-4-yl]hydrazono]-3-keto-naphthalene-1-sulfonic acid Formula: C21H17N5O8S MolecularWeight: 499.45338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])NN=C3C4=CC=CC=C4C(=CC3=O)S(=O)(=O)O

Isomeric SMILES

CCOC1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])N/N=C/3\C4=CC=CC=C4C(=CC3=O)S(=O)(=O)O

InChI

InChI=1S/C21H17N5O8S/c1-2-34-20-19(21(28)25(24-20)12-7-9-13(10-8-12)26(29)30)23-22-18-15-6-4-3-5-14(15)17(11-16(18)27)35(31,32)33/h3-11,23-24H,2H2,1H3,(H,31,32,33)/b22-18+