tert-butyl 2-(5-nitro-6-oxidanylidene-2-phenyl-pyrimidin-1-yl)ethanoate

Systemtic Name: tert-butyl 2-(5-nitro-6-oxidanylidene-2-phenyl-pyrimidin-1-yl)ethanoate Openeye Name: tert-butyl 2-(5-nitro-6-oxo-2-phenyl-pyrimidin-1-yl)acetate CAS Name: 2-(5-nitro-6-oxo-2-phenyl-1-pyrimidinyl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(5-nitro-6-oxo-2-phenylpyrimidin-1-yl)acetate Traditional Name: 2-(6-keto-5-nitro-2-phenyl-pyrimidin-1-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(=NC=C(C1=O)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)CN1C(=NC=C(C1=O)[N+](=O)[O-])C2=CC=CC=C2

InChI

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