ethyl 4-[1-(cyanoamino)ethylideneamino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carboxylate

Systemtic Name: ethyl 4-[1-(cyanoamino)ethylideneamino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carboxylate Openeye Name: ethyl 4-[1-(cyanoamino)ethylideneamino]-3-hydroxy-2,2-dimethyl-chromane-6-carboxylate CAS Name: 4-[1-(cyanoamino)ethylideneamino]-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(cyanoamino)ethylideneamino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxylate Traditional Name: 4-[1-(cyanoamino)ethylideneamino]-3-hydroxy-2,2-dimethyl-chroman-6-carboxylic acid ethyl ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)OC(C(C2N=C(C)NC#N)O)(C)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)OC(C(C2N=C(C)NC#N)O)(C)C

InChI

InChI=1S/C17H21N3O4/c1-5-23-16(22)11-6-7-13-12(8-11)14(20-10(2)19-9-18)15(21)17(3,4)24-13/h6-8,14-15,21H,5H2,1-4H3,(H,19,20)