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

Systemtic Name: [6-cyano-2,2-dimethyl-4-(5-oxidanylidene-3-prop-2-enoxy-2H-pyrrol-1-yl)-3,4-dihydrochromen-3-yl] ethanoate Openeye Name: [4-(3-allyloxy-5-oxo-2H-pyrrol-1-yl)-6-cyano-2,2-dimethyl-chroman-3-yl] acetate CAS Name: acetic acid [6-cyano-2,2-dimethyl-4-(5-oxo-3-prop-2-enoxy-2H-pyrrol-1-yl)-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [6-cyano-2,2-dimethyl-4-(5-oxo-3-prop-2-enoxy-2H-pyrrol-1-yl)-3,4-dihydrochromen-3-yl] acetate Traditional Name: acetic acid [4-(4-allyloxy-2-keto-3-pyrrolin-1-yl)-6-cyano-2,2-dimethyl-chroman-3-yl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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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)OCC=C

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5/c1-5-8-26-15-10-18(25)23(12-15)19-16-9-14(11-22)6-7-17(16)28-21(3,4)20(19)27-13(2)24/h5-7,9-10,19-20H,1,8,12H2,2-4H3