[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C19H19N5O4 MolecularWeight: 381.38526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)OCC(=O)N(CCC#N)CCC#N)C2=CC=CC=C2

Isomeric SMILES

COC1=CN(N=C1C(=O)OCC(=O)N(CCC#N)CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C19H19N5O4/c1-27-16-13-24(15-7-3-2-4-8-15)22-18(16)19(26)28-14-17(25)23(11-5-9-20)12-6-10-21/h2-4,7-8,13H,5-6,11-12,14H2,1H3