[4-(3-but-3-enoxy-5-oxidanylidene-2H-pyrrol-1-yl)-6-cyano-2,2-dimethyl-3,4-dihydrochromen-3-yl] ethanoate

Systemtic Name: [4-(3-but-3-enoxy-5-oxidanylidene-2H-pyrrol-1-yl)-6-cyano-2,2-dimethyl-3,4-dihydrochromen-3-yl] ethanoate Openeye Name: [4-(3-but-3-enoxy-5-oxo-2H-pyrrol-1-yl)-6-cyano-2,2-dimethyl-chroman-3-yl] acetate CAS Name: acetic acid [4-(3-but-3-enoxy-5-oxo-2H-pyrrol-1-yl)-6-cyano-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [4-(3-but-3-enoxy-5-oxo-2H-pyrrol-1-yl)-6-cyano-2,2-dimethyl-3,4-dihydrochromen-3-yl] acetate Traditional Name: acetic acid [4-(4-but-3-enoxy-2-keto-3-pyrrolin-1-yl)-6-cyano-2,2-dimethyl-chroman-3-yl] ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C2=C(C=CC(=C2)C#N)OC1(C)C)N3CC(=CC3=O)OCCC=C

Isomeric SMILES

CC(=O)OC1C(C2=C(C=CC(=C2)C#N)OC1(C)C)N3CC(=CC3=O)OCCC=C

InChI

InChI=1S/C22H24N2O5/c1-5-6-9-27-16-11-19(26)24(13-16)20-17-10-15(12-23)7-8-18(17)29-22(3,4)21(20)28-14(2)25/h5,7-8,10-11,20-21H,1,6,9,13H2,2-4H3