N-(2-morpholin-4-ylethyl)-3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzamide

Systemtic Name: N-(2-morpholin-4-ylethyl)-3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzamide Openeye Name: N-(2-morpholinoethyl)-3-(5-nitro-1,3-dioxo-isoindolin-2-yl)benzamide CAS Name: N-[2-(4-morpholinyl)ethyl]-3-(5-nitro-1,3-dioxo-2-isoindolyl)benzamide IUPAC Name: N-(2-morpholin-4-ylethyl)-3-(5-nitro-1,3-dioxoisoindol-2-yl)benzamide Traditional Name: 3-(1,3-diketo-5-nitro-isoindolin-2-yl)-N-(2-morpholinoethyl)benzamide Formula: C21H20N4O6 MolecularWeight: 424.4067

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCNC(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

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