[2-[(3R)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-[(3R)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-[(3R)-5-(2-naphthyl)-3-phenyl-1,3-dihydropyrazol-2-yl]-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-[(3R)-5-(2-naphthalenyl)-3-phenyl-1,3-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]-2-oxoethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-keto-2-[(5R)-3-(2-naphthyl)-5-phenyl-3-pyrazolin-1-yl]ethyl] ester Formula: C26H19N3O5S MolecularWeight: 485.51116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C=C(NN2C(=O)COC(=O)C3=CC=C(S3)[N+](=O)[O-])C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1=CC=C(C=C1)[C@H]2C=C(NN2C(=O)COC(=O)C3=CC=C(S3)[N+](=O)[O-])C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C26H19N3O5S/c30-24(16-34-26(31)23-12-13-25(35-23)29(32)33)28-22(18-7-2-1-3-8-18)15-21(27-28)20-11-10-17-6-4-5-9-19(17)14-20/h1-15,22,27H,16H2/t22-/m1/s1