tert-butyl 2-(7-nitro-4-oxidanylidene-quinazolin-3-yl)ethanoate

Systemtic Name: tert-butyl 2-(7-nitro-4-oxidanylidene-quinazolin-3-yl)ethanoate Openeye Name: tert-butyl 2-(7-nitro-4-oxo-quinazolin-3-yl)acetate CAS Name: 2-(7-nitro-4-oxo-3-quinazolinyl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(7-nitro-4-oxoquinazolin-3-yl)acetate Traditional Name: 2-(4-keto-7-nitro-quinazolin-3-yl)acetic acid tert-butyl ester Formula: C14H15N3O5 MolecularWeight: 305.286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C=NC2=C(C1=O)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)CN1C=NC2=C(C1=O)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O5/c1-14(2,3)22-12(18)7-16-8-15-11-6-9(17(20)21)4-5-10(11)13(16)19/h4-6,8H,7H2,1-3H3