tert-butyl 2-(9-oxidanyl-2-oxidanylidene-10H-pyrimido[5,4-b][1,4]benzoxazin-3-yl)ethanoate

Systemtic Name: tert-butyl 2-(9-oxidanyl-2-oxidanylidene-10H-pyrimido[5,4-b][1,4]benzoxazin-3-yl)ethanoate Openeye Name: tert-butyl 2-(9-hydroxy-2-oxo-10H-pyrimido[5,4-b][1,4]benzoxazin-3-yl)acetate CAS Name: 2-(9-hydroxy-2-oxo-10H-pyrimido[5,4-b][1,4]benzoxazin-3-yl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(9-hydroxy-2-oxo-10H-pyrimido[5,4-b][1,4]benzoxazin-3-yl)acetate Traditional Name: 2-(9-hydroxy-2-keto-10H-pyrimido[5,4-b][1,4]benzoxazin-3-yl)acetic acid tert-butyl ester Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C=C2C(=NC1=O)NC3=C(O2)C=CC=C3O

Isomeric SMILES

CC(C)(C)OC(=O)CN1C=C2C(=NC1=O)NC3=C(O2)C=CC=C3O

InChI

InChI=1S/C16H17N3O5/c1-16(2,3)24-12(21)8-19-7-11-14(18-15(19)22)17-13-9(20)5-4-6-10(13)23-11/h4-7,20H,8H2,1-3H3,(H,17,18,22)