[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-(2-propan-2-ylphenoxy)ethanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-(2-propan-2-ylphenoxy)ethanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-(2-isopropylphenoxy)acetate CAS Name: 2-(2-propan-2-ylphenoxy)acetic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-(2-propan-2-ylphenoxy)acetate Traditional Name: 2-(2-isopropylphenoxy)acetic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(=O)OCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CC(C)C1=CC=CC=C1OCC(=O)OCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C17H20N2O4/c1-11(2)13-6-4-5-7-16(13)22-10-17(21)23-9-15(20)14(8-18)12(3)19/h4-7,11H,9-10,19H2,1-3H3/b14-12+