(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-methoxy-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C17H16N4O4 MolecularWeight: 340.33334

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=NN(C=C1OC)C2=CC=CC=C2

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=NN(C=C1OC)C2=CC=CC=C2

InChI

InChI=1S/C17H16N4O4/c1-11(19)13(8-18)14(22)10-25-17(23)16-15(24-2)9-21(20-16)12-6-4-3-5-7-12/h3-7,9,13,19H,10H2,1-2H3