ethyl 1-(4-nitrophenyl)-4-[2-oxidanylidene-2-(3-propan-2-yloxypropylamino)ethoxy]pyrazole-3-carboxylate

Systemtic Name: ethyl 1-(4-nitrophenyl)-4-[2-oxidanylidene-2-(3-propan-2-yloxypropylamino)ethoxy]pyrazole-3-carboxylate Openeye Name: ethyl 4-[2-(3-isopropoxypropylamino)-2-oxo-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate CAS Name: 1-(4-nitrophenyl)-4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethoxy]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-nitrophenyl)-4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethoxy]pyrazole-3-carboxylate Traditional Name: 4-[2-(3-isopropoxypropylamino)-2-keto-ethoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C20H26N4O7 MolecularWeight: 434.44304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C=C1OCC(=O)NCCCOC(C)C)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NN(C=C1OCC(=O)NCCCOC(C)C)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O7/c1-4-29-20(26)19-17(31-13-18(25)21-10-5-11-30-14(2)3)12-23(22-19)15-6-8-16(9-7-15)24(27)28/h6-9,12,14H,4-5,10-11,13H2,1-3H3,(H,21,25)