(4-methanoyl-2-methoxy-phenyl) 1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazole-4-carboxylate

Systemtic Name: (4-methanoyl-2-methoxy-phenyl) 1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazole-4-carboxylate Openeye Name: (4-formyl-2-methoxy-phenyl) 1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazole-4-carboxylate CAS Name: 1-(2-cyanoethyl)-3-(3-nitrophenyl)-4-pyrazolecarboxylic acid (4-formyl-2-methoxyphenyl) ester IUPAC Name: (4-formyl-2-methoxyphenyl) 1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazole-4-carboxylate Traditional Name: 1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazole-4-carboxylic acid (4-formyl-2-methoxy-phenyl) ester Formula: C21H16N4O6 MolecularWeight: 420.37494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=O)OC(=O)C2=CN(N=C2C3=CC(=CC=C3)[N+](=O)[O-])CCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)C=O)OC(=O)C2=CN(N=C2C3=CC(=CC=C3)[N+](=O)[O-])CCC#N

InChI

InChI=1S/C21H16N4O6/c1-30-19-10-14(13-26)6-7-18(19)31-21(27)17-12-24(9-3-8-22)23-20(17)15-4-2-5-16(11-15)25(28)29/h2,4-7,10-13H,3,9H2,1H3