ethyl 4-[2-(heptan-2-ylamino)-2-oxidanylidene-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 4-[2-(heptan-2-ylamino)-2-oxidanylidene-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-[2-(1-methylhexylamino)-2-oxo-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate CAS Name: 4-[2-(heptan-2-ylamino)-2-oxoethoxy]-1-(4-nitrophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(heptan-2-ylamino)-2-oxoethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Traditional Name: 4-[2-keto-2-(1-methylhexylamino)ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C21H28N4O6 MolecularWeight: 432.47022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)COC1=CN(N=C1C(=O)OCC)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCC(C)NC(=O)COC1=CN(N=C1C(=O)OCC)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O6/c1-4-6-7-8-15(3)22-19(26)14-31-18-13-24(23-20(18)21(27)30-5-2)16-9-11-17(12-10-16)25(28)29/h9-13,15H,4-8,14H2,1-3H3,(H,22,26)