[5-ethyl-2-(4-nitrophenyl)pyrazol-3-yl] naphthalene-1-sulfonate

Systemtic Name: [5-ethyl-2-(4-nitrophenyl)pyrazol-3-yl] naphthalene-1-sulfonate Openeye Name: [5-ethyl-2-(4-nitrophenyl)pyrazol-3-yl] naphthalene-1-sulfonate CAS Name: 1-naphthalenesulfonic acid [5-ethyl-2-(4-nitrophenyl)-3-pyrazolyl] ester IUPAC Name: [5-ethyl-2-(4-nitrophenyl)pyrazol-3-yl] naphthalene-1-sulfonate Traditional Name: naphthalene-1-sulfonic acid [5-ethyl-2-(4-nitrophenyl)pyrazol-3-yl] ester Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)OS(=O)(=O)C2=CC=CC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=NN(C(=C1)OS(=O)(=O)C2=CC=CC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O5S/c1-2-16-14-21(23(22-16)17-10-12-18(13-11-17)24(25)26)29-30(27,28)20-9-5-7-15-6-3-4-8-19(15)20/h3-14H,2H2,1H3