ethyl 6-(2-chloranylethanoylamino)-8-cyano-5-oxidanylidene-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate

Systemtic Name: ethyl 6-(2-chloranylethanoylamino)-8-cyano-5-oxidanylidene-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate Openeye Name: ethyl 6-[(2-chloroacetyl)amino]-8-cyano-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate CAS Name: 6-[(2-chloro-1-oxoethyl)amino]-8-cyano-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(2-chloroacetyl)amino]-8-cyano-5-oxo-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylate Traditional Name: 6-[(2-chloroacetyl)amino]-8-cyano-5-keto-2,3,6,7-tetrahydro-1H-indolizine-3-carboxylic acid ethyl ester Formula: C14H16ClN3O4 MolecularWeight: 325.74754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC2=C(CC(C(=O)N12)NC(=O)CCl)C#N

Isomeric SMILES

CCOC(=O)C1CCC2=C(CC(C(=O)N12)NC(=O)CCl)C#N

InChI

InChI=1S/C14H16ClN3O4/c1-2-22-14(21)11-4-3-10-8(7-16)5-9(13(20)18(10)11)17-12(19)6-15/h9,11H,2-6H2,1H3,(H,17,19)