ethyl 2-[(3-cyano-2,2-dimethyl-3-oxidanyl-4H-chromen-4-yl)imino]ethanoate

Systemtic Name: ethyl 2-[(3-cyano-2,2-dimethyl-3-oxidanyl-4H-chromen-4-yl)imino]ethanoate Openeye Name: ethyl 2-(3-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)iminoacetate CAS Name: 2-[(3-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)imino]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3-cyano-3-hydroxy-2,2-dimethyl-4H-chromen-4-yl)imino]acetate Traditional Name: 2-(3-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)iminoacetic acid ethyl ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=NC1C2=CC=CC=C2OC(C1(C#N)O)(C)C

Isomeric SMILES

CCOC(=O)C=NC1C2=CC=CC=C2OC(C1(C#N)O)(C)C

InChI

InChI=1S/C16H18N2O4/c1-4-21-13(19)9-18-14-11-7-5-6-8-12(11)22-15(2,3)16(14,20)10-17/h5-9,14,20H,4H2,1-3H3