2-[(2E)-2-[3-methyl-1-(4-nitrophenyl)-5-oxidanylidene-pyrazol-4-ylidene]hydrazinyl]naphthalene-1-sulfonate

Systemtic Name: 2-[(2E)-2-[3-methyl-1-(4-nitrophenyl)-5-oxidanylidene-pyrazol-4-ylidene]hydrazinyl]naphthalene-1-sulfonate Openeye Name: 2-[(2E)-2-[3-methyl-1-(4-nitrophenyl)-5-oxo-pyrazol-4-ylidene]hydrazino]naphthalene-1-sulfonate CAS Name: 2-[(2E)-2-[3-methyl-1-(4-nitrophenyl)-5-oxo-4-pyrazolylidene]hydrazinyl]-1-naphthalenesulfonate IUPAC Name: 2-[(2E)-2-[3-methyl-1-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]hydrazinyl]naphthalene-1-sulfonate Traditional Name: 2-[(N'E)-N'-[5-keto-3-methyl-1-(4-nitrophenyl)-2-pyrazolin-4-ylidene]hydrazino]naphthalene-1-sulfonate Formula: C20H14N5O6S- MolecularWeight: 452.42006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=C(C3=CC=CC=C3C=C2)S(=O)(=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC\1=NN(C(=O)/C1=N/NC2=C(C3=CC=CC=C3C=C2)S(=O)(=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N5O6S/c1-12-18(20(26)24(23-12)14-7-9-15(10-8-14)25(27)28)22-21-17-11-6-13-4-2-3-5-16(13)19(17)32(29,30)31/h2-11,21H,1H3,(H,29,30,31)/p-1/b22-18+