3-(3,3-dimethyl-2-oxidanylidene-butyl)-6-nitro-1,4-benzoxazin-2-one

Systemtic Name: 3-(3,3-dimethyl-2-oxidanylidene-butyl)-6-nitro-1,4-benzoxazin-2-one Openeye Name: 3-(3,3-dimethyl-2-oxo-butyl)-6-nitro-1,4-benzoxazin-2-one CAS Name: 3-(3,3-dimethyl-2-oxobutyl)-6-nitro-1,4-benzoxazin-2-one IUPAC Name: 3-(3,3-dimethyl-2-oxobutyl)-6-nitro-1,4-benzoxazin-2-one Traditional Name: 3-(2-keto-3,3-dimethyl-butyl)-6-nitro-1,4-benzoxazin-2-one Formula: C14H14N2O5 MolecularWeight: 290.27136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CC1=NC2=C(C=CC(=C2)[N+](=O)[O-])OC1=O

Isomeric SMILES

CC(C)(C)C(=O)CC1=NC2=C(C=CC(=C2)[N+](=O)[O-])OC1=O

InChI

InChI=1S/C14H14N2O5/c1-14(2,3)12(17)7-10-13(18)21-11-5-4-8(16(19)20)6-9(11)15-10/h4-6H,7H2,1-3H3