1-[2-oxidanylidene-4-(phenylcarbonyl)azetidin-1-yl]ethyl 3,5-dinitrobenzoate

Systemtic Name: 1-[2-oxidanylidene-4-(phenylcarbonyl)azetidin-1-yl]ethyl 3,5-dinitrobenzoate Openeye Name: 1-(2-benzoyl-4-oxo-azetidin-1-yl)ethyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 1-(2-benzoyl-4-oxo-1-azetidinyl)ethyl ester IUPAC Name: 1-(2-benzoyl-4-oxoazetidin-1-yl)ethyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 1-(2-benzoyl-4-keto-azetidin-1-yl)ethyl ester Formula: C19H15N3O8 MolecularWeight: 413.3377

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(N1C(CC1=O)C(=O)C2=CC=CC=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(N1C(CC1=O)C(=O)C2=CC=CC=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O8/c1-11(20-16(10-17(20)23)18(24)12-5-3-2-4-6-12)30-19(25)13-7-14(21(26)27)9-15(8-13)22(28)29/h2-9,11,16H,10H2,1H3