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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-(4-nitro-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-(1,3-diketo-4-nitro-isoindolin-2-yl)propionamide Formula: C18H13N3O7 MolecularWeight: 383.31172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O7/c1-9(16(22)19-10-5-6-13-14(7-10)28-8-27-13)20-17(23)11-3-2-4-12(21(25)26)15(11)18(20)24/h2-7,9H,8H2,1H3,(H,19,22)