2-[4-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-2-methoxy-6-prop-2-enyl-phenoxy]ethanenitrile

Systemtic Name: 2-[4-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-2-methoxy-6-prop-2-enyl-phenoxy]ethanenitrile Openeye Name: 2-[2-allyl-4-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-methoxy-phenoxy]acetonitrile CAS Name: 2-[4-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-2-methoxy-6-prop-2-enylphenoxy]acetonitrile IUPAC Name: 2-[4-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methoxy-6-prop-2-enylphenoxy]acetonitrile Traditional Name: 2-[2-allyl-4-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-6-methoxy-phenoxy]acetonitrile Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC#N)CC=C)C=C2C(=O)NN(C2=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OCC#N)CC=C)C=C2C(=O)NN(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C22H19N3O4/c1-3-7-16-12-15(14-19(28-2)20(16)29-11-10-23)13-18-21(26)24-25(22(18)27)17-8-5-4-6-9-17/h3-6,8-9,12-14H,1,7,11H2,2H3,(H,24,26)