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

Systemtic Name: ethyl 4-[5-(furan-2-yl)-2-(3-nitrophenyl)pyrazol-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[5-(2-furyl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[5-(2-furanyl)-2-(3-nitrophenyl)-3-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(furan-2-yl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[5-(2-furyl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H21N5O6 MolecularWeight: 439.42134

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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=CO4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=NN2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CO4

InChI

InChI=1S/C21H21N5O6/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