ethyl 4-[(2-cyanophenyl)methoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 4-[(2-cyanophenyl)methoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-[(2-cyanophenyl)methoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate CAS Name: 4-[(2-cyanophenyl)methoxy]-1-(4-nitrophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-cyanophenyl)methoxy]-1-(4-nitrophenyl)pyrazole-3-carboxylate Traditional Name: 4-(2-cyanobenzyl)oxy-1-(4-nitrophenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C20H16N4O5 MolecularWeight: 392.36484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C=C1OCC2=CC=CC=C2C#N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NN(C=C1OCC2=CC=CC=C2C#N)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O5/c1-2-28-20(25)19-18(29-13-15-6-4-3-5-14(15)11-21)12-23(22-19)16-7-9-17(10-8-16)24(26)27/h3-10,12H,2,13H2,1H3