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

Systemtic Name: [2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: [2-(2-methyl-3-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-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3-nitroanilino)-2-oxoethyl] 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid [2-keto-2-(2-methyl-3-nitro-anilino)ethyl] ester Formula: C23H18N4O5S MolecularWeight: 462.47782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)COC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)COC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C23H18N4O5S/c1-15-17(9-5-10-19(15)27(30)31)24-22(28)14-32-23(29)20-13-18(21-11-6-12-33-21)25-26(20)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,24,28)