N-(6-nitro-1,3-benzothiazol-2-yl)-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-nitro-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)propionamide Formula: C18H11N5O7S MolecularWeight: 441.37424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H11N5O7S/c24-14(20-18-19-11-5-4-9(22(27)28)8-13(11)31-18)6-7-21-16(25)10-2-1-3-12(23(29)30)15(10)17(21)26/h1-5,8H,6-7H2,(H,19,20,24)