ethyl 2-[[2-oxidanylidene-2-[[1-(phenylmethyl)pyrrolidin-3-yl]amino]-1-pyrazol-3-ylidene-ethyl]amino]oxyethanoate

Systemtic Name: ethyl 2-[[2-oxidanylidene-2-[[1-(phenylmethyl)pyrrolidin-3-yl]amino]-1-pyrazol-3-ylidene-ethyl]amino]oxyethanoate Openeye Name: ethyl 2-[[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxo-1-pyrazol-3-ylidene-ethyl]amino]oxyacetate CAS Name: 2-[[2-oxo-2-[[1-(phenylmethyl)-3-pyrrolidinyl]amino]-1-(3-pyrazolylidene)ethyl]amino]oxyacetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxo-1-pyrazol-3-ylideneethyl]amino]oxyacetate Traditional Name: 2-[[2-[(1-benzylpyrrolidin-3-yl)amino]-2-keto-1-pyrazol-3-ylidene-ethyl]amino]oxyacetic acid ethyl ester Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CONC(=C1C=CN=N1)C(=O)NC2CCN(C2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CONC(=C1C=CN=N1)C(=O)NC2CCN(C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N5O4/c1-2-28-18(26)14-29-24-19(17-8-10-21-23-17)20(27)22-16-9-11-25(13-16)12-15-6-4-3-5-7-15/h3-8,10,16,24H,2,9,11-14H2,1H3,(H,22,27)