ethyl 2'-azanyl-5'-cyano-6'-methyl-3-oxidanylidene-spiro[2H-isoindole-1,4'-pyran]-3'-carboxylate

Systemtic Name: ethyl 2'-azanyl-5'-cyano-6'-methyl-3-oxidanylidene-spiro[2H-isoindole-1,4'-pyran]-3'-carboxylate Openeye Name: ethyl 2'-amino-5'-cyano-6'-methyl-3-oxo-spiro[isoindoline-1,4'-pyran]-3'-carboxylate CAS Name: 2'-amino-5'-cyano-6'-methyl-3-oxo-3'-spiro[2H-isoindole-1,4'-pyran]carboxylic acid ethyl ester IUPAC Name: ethyl 2'-amino-5'-cyano-6'-methyl-3-oxospiro[2H-isoindole-1,4'-pyran]-3'-carboxylate Traditional Name: 2'-amino-5'-cyano-3-keto-6'-methyl-spiro[isoindoline-1,4'-pyran]-3'-carboxylic acid ethyl ester Formula: C17H15N3O4 MolecularWeight: 325.3187

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C12C3=CC=CC=C3C(=O)N2)C#N)C)N

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C12C3=CC=CC=C3C(=O)N2)C#N)C)N

InChI

InChI=1S/C17H15N3O4/c1-3-23-16(22)13-14(19)24-9(2)12(8-18)17(13)11-7-5-4-6-10(11)15(21)20-17/h4-7H,3,19H2,1-2H3,(H,20,21)