O3-tert-butyl O1-(6-chloranyl-2-oxidanylidene-4-phenyl-chromen-7-yl) 2-azanylpropanedioate

Systemtic Name: O3-tert-butyl O1-(6-chloranyl-2-oxidanylidene-4-phenyl-chromen-7-yl) 2-azanylpropanedioate Openeye Name: O1-tert-butyl O3-(6-chloro-2-oxo-4-phenyl-chromen-7-yl) 2-aminopropanedioate CAS Name: 2-aminopropanedioic acid O3-tert-butyl ester O1-(6-chloro-2-oxo-4-phenyl-1-benzopyran-7-yl) ester IUPAC Name: 3-O-tert-butyl 1-O-(6-chloro-2-oxo-4-phenylchromen-7-yl) 2-aminopropanedioate Traditional Name: 2-aminomalonic acid O1-tert-butyl ester O3-(6-chloro-2-keto-4-phenyl-chromen-7-yl) ester Formula: C22H20ClNO6 MolecularWeight: 429.8503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C(=O)OC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)Cl)N

Isomeric SMILES

CC(C)(C)OC(=O)C(C(=O)OC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)Cl)N

InChI

InChI=1S/C22H20ClNO6/c1-22(2,3)30-21(27)19(24)20(26)29-17-11-16-14(9-15(17)23)13(10-18(25)28-16)12-7-5-4-6-8-12/h4-11,19H,24H2,1-3H3