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

Systemtic Name: N-(4-morpholin-4-ylphenyl)-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-(4-morpholinophenyl)-3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-[4-(4-morpholinyl)phenyl]-3-(4-nitro-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(4-morpholin-4-ylphenyl)-3-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-(4-morpholinophenyl)propionamide Formula: C21H20N4O6 MolecularWeight: 424.4067

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC(=O)CCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC(=O)CCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O6/c26-18(22-14-4-6-15(7-5-14)23-10-12-31-13-11-23)8-9-24-20(27)16-2-1-3-17(25(29)30)19(16)21(24)28/h1-7H,8-13H2,(H,22,26)