ethyl 4-[2-(3-nitrophenyl)-5-thiophen-2-yl-pyrazol-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(3-nitrophenyl)-5-thiophen-2-yl-pyrazol-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-(3-nitrophenyl)-5-(2-thienyl)pyrazole-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-(3-nitrophenyl)-5-thiophen-2-yl-3-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-nitrophenyl)-5-thiophen-2-ylpyrazole-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-(3-nitrophenyl)-5-(2-thienyl)pyrazole-3-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=NN2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=NN2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C21H21N5O5S/c1-2-31-21(28)24-10-8-23(9-11-24)20(27)18-14-17(19-7-4-12-32-19)22-25(18)15-5-3-6-16(13-15)26(29)30/h3-7,12-14H,2,8-11H2,1H3