N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide

Systemtic Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-nitro-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propionamide Formula: C14H11N5O5S MolecularWeight: 361.33264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(S1)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H11N5O5S/c1-7-16-17-14(25-7)15-10(20)5-6-18-12(21)8-3-2-4-9(19(23)24)11(8)13(18)22/h2-4H,5-6H2,1H3,(H,15,17,20)