3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)-2-oxidanylidene-ethyl]-7-nitro-1,4-benzoxazin-2-one

Systemtic Name: 3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)-2-oxidanylidene-ethyl]-7-nitro-1,4-benzoxazin-2-one Openeye Name: 3-[2-(2,4-dimethyloxazol-5-yl)-2-oxo-ethyl]-7-nitro-1,4-benzoxazin-2-one CAS Name: 3-[2-(2,4-dimethyl-5-oxazolyl)-2-oxoethyl]-7-nitro-1,4-benzoxazin-2-one IUPAC Name: 3-[2-(2,4-dimethyl-1,3-oxazol-5-yl)-2-oxoethyl]-7-nitro-1,4-benzoxazin-2-one Traditional Name: 3-[2-(2,4-dimethyloxazol-5-yl)-2-keto-ethyl]-7-nitro-1,4-benzoxazin-2-one Formula: C15H11N3O6 MolecularWeight: 329.26434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=N1)C)C(=O)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CC1=C(OC(=N1)C)C(=O)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C15H11N3O6/c1-7-14(23-8(2)16-7)12(19)6-11-15(20)24-13-5-9(18(21)22)3-4-10(13)17-11/h3-5H,6H2,1-2H3