3-(3,3-dimethyl-2-oxidanylidene-butylidene)-7-nitro-4H-1,4-benzoxazin-2-one

Systemtic Name: 3-(3,3-dimethyl-2-oxidanylidene-butylidene)-7-nitro-4H-1,4-benzoxazin-2-one Openeye Name: 3-(3,3-dimethyl-2-oxo-butylidene)-7-nitro-4H-1,4-benzoxazin-2-one CAS Name: 3-(3,3-dimethyl-2-oxobutylidene)-7-nitro-4H-1,4-benzoxazin-2-one IUPAC Name: 3-(3,3-dimethyl-2-oxobutylidene)-7-nitro-4H-1,4-benzoxazin-2-one Traditional Name: 3-(2-keto-3,3-dimethyl-butylidene)-7-nitro-4H-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)C=C1C(=O)OC2=C(N1)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)C=C1C(=O)OC2=C(N1)C=CC(=C2)[N+](=O)[O-]

InChI

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