[2-ethoxy-4-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] 2-nitrobenzenesulfonate

Systemtic Name: [2-ethoxy-4-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] 2-nitrobenzenesulfonate Openeye Name: [2-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]phenyl] 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [2-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]phenyl] 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid [2-ethoxy-4-[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]phenyl] ester Formula: C25H21N3O7S MolecularWeight: 507.51514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)OS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/2\C(=NN(C2=O)C3=CC=CC=C3)C)OS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C25H21N3O7S/c1-3-34-23-16-18(15-20-17(2)26-27(25(20)29)19-9-5-4-6-10-19)13-14-22(23)35-36(32,33)24-12-8-7-11-21(24)28(30)31/h4-16H,3H2,1-2H3/b20-15+