ethyl 2-ethanoyl-4-(3-methyl-4-nitro-1,2-oxazol-5-yl)-3-(4-nitrophenyl)butanoate

Systemtic Name: ethyl 2-ethanoyl-4-(3-methyl-4-nitro-1,2-oxazol-5-yl)-3-(4-nitrophenyl)butanoate Openeye Name: ethyl 2-acetyl-4-(3-methyl-4-nitro-isoxazol-5-yl)-3-(4-nitrophenyl)butanoate CAS Name: 2-acetyl-4-(3-methyl-4-nitro-5-isoxazolyl)-3-(4-nitrophenyl)butanoic acid ethyl ester IUPAC Name: ethyl 2-acetyl-4-(3-methyl-4-nitro-1,2-oxazol-5-yl)-3-(4-nitrophenyl)butanoate Traditional Name: 2-acetyl-4-(3-methyl-4-nitro-isoxazol-5-yl)-3-(4-nitrophenyl)butyric acid ethyl ester Formula: C18H19N3O8 MolecularWeight: 405.35876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(CC1=C(C(=NO1)C)[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CCOC(=O)C(C(CC1=C(C(=NO1)C)[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C18H19N3O8/c1-4-28-18(23)16(11(3)22)14(12-5-7-13(8-6-12)20(24)25)9-15-17(21(26)27)10(2)19-29-15/h5-8,14,16H,4,9H2,1-3H3