3-(3,3-dimethyl-2-oxidanylidene-butyl)-6-nitro-quinazolin-4-one

Systemtic Name: 3-(3,3-dimethyl-2-oxidanylidene-butyl)-6-nitro-quinazolin-4-one Openeye Name: 3-(3,3-dimethyl-2-oxo-butyl)-6-nitro-quinazolin-4-one CAS Name: 3-(3,3-dimethyl-2-oxobutyl)-6-nitro-4-quinazolinone IUPAC Name: 3-(3,3-dimethyl-2-oxobutyl)-6-nitroquinazolin-4-one Traditional Name: 3-(2-keto-3,3-dimethyl-butyl)-6-nitro-quinazolin-4-one Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O4/c1-14(2,3)12(18)7-16-8-15-11-5-4-9(17(20)21)6-10(11)13(16)19/h4-6,8H,7H2,1-3H3