[2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: [2-[(2-chloranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: [2-(2-chloro-5-nitro-anilino)-2-oxo-ethyl] 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-(2-chloro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-nitroanilino)-2-oxoethyl] 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid [2-(2-chloro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C22H15ClN4O5S MolecularWeight: 482.8963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H15ClN4O5S/c23-16-9-8-15(27(30)31)11-17(16)24-21(28)13-32-22(29)19-12-18(20-7-4-10-33-20)25-26(19)14-5-2-1-3-6-14/h1-12H,13H2,(H,24,28)