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

Systemtic Name: ethyl 4-[5-(5-methylfuran-2-yl)-2-(3-nitrophenyl)pyrazol-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[5-(5-methyl-2-furyl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[5-(5-methyl-2-furanyl)-2-(3-nitrophenyl)-3-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(5-methylfuran-2-yl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[5-(5-methyl-2-furyl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H23N5O6 MolecularWeight: 453.44792

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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=C(O4)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=NN2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(O4)C

InChI

InChI=1S/C22H23N5O6/c1-3-32-22(29)25-11-9-24(10-12-25)21(28)19-14-18(20-8-7-15(2)33-20)23-26(19)16-5-4-6-17(13-16)27(30)31/h4-8,13-14H,3,9-12H2,1-2H3