3-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)-1-(4-nitrophenyl)ethyl]pentane-2,4-dione

Systemtic Name: 3-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)-1-(4-nitrophenyl)ethyl]pentane-2,4-dione Openeye Name: 3-[2-(3-methyl-4-nitro-isoxazol-5-yl)-1-(4-nitrophenyl)ethyl]pentane-2,4-dione CAS Name: 3-[2-(3-methyl-4-nitro-5-isoxazolyl)-1-(4-nitrophenyl)ethyl]pentane-2,4-dione IUPAC Name: 3-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)-1-(4-nitrophenyl)ethyl]pentane-2,4-dione Traditional Name: 3-[2-(3-methyl-4-nitro-isoxazol-5-yl)-1-(4-nitrophenyl)ethyl]pentane-2,4-dione Formula: C17H17N3O7 MolecularWeight: 375.33278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1[N+](=O)[O-])CC(C2=CC=C(C=C2)[N+](=O)[O-])C(C(=O)C)C(=O)C

Isomeric SMILES

CC1=NOC(=C1[N+](=O)[O-])CC(C2=CC=C(C=C2)[N+](=O)[O-])C(C(=O)C)C(=O)C

InChI

InChI=1S/C17H17N3O7/c1-9-17(20(25)26)15(27-18-9)8-14(16(10(2)21)11(3)22)12-4-6-13(7-5-12)19(23)24/h4-7,14,16H,8H2,1-3H3