N-(5-methyl-1,2-oxazol-3-yl)-3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-(5-methylisoxazol-3-yl)-3-(5-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-(5-methyl-3-isoxazolyl)-3-(5-nitro-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-3-(5-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: 3-(1,3-diketo-5-nitro-isoindolin-2-yl)-N-(5-methylisoxazol-3-yl)propionamide Formula: C15H12N4O6 MolecularWeight: 344.27898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H12N4O6/c1-8-6-12(17-25-8)16-13(20)4-5-18-14(21)10-3-2-9(19(23)24)7-11(10)15(18)22/h2-3,6-7H,4-5H2,1H3,(H,16,17,20)