ethyl 4-[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 4-[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-[2-[(1-cyanocyclopentyl)amino]-2-oxo-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate CAS Name: 4-[2-[(1-cyanocyclopentyl)amino]-2-oxoethoxy]-1-(4-nitrophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(1-cyanocyclopentyl)amino]-2-oxoethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Traditional Name: 4-[2-[(1-cyanocyclopentyl)amino]-2-keto-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C20H21N5O6 MolecularWeight: 427.41064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C=C1OCC(=O)NC2(CCCC2)C#N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NN(C=C1OCC(=O)NC2(CCCC2)C#N)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O6/c1-2-30-19(27)18-16(31-12-17(26)22-20(13-21)9-3-4-10-20)11-24(23-18)14-5-7-15(8-6-14)25(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,22,26)