N-[2-[(3-ethyl-2-morpholin-4-yl-pentyl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[(3-ethyl-2-morpholin-4-yl-pentyl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[(3-ethyl-2-morpholino-pentyl)amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[[3-ethyl-2-(4-morpholinyl)pentyl]amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[(3-ethyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-[(3-ethyl-2-morpholino-pentyl)amino]-2-keto-ethyl]-3-nitro-benzamide Formula: C20H30N4O5 MolecularWeight: 406.476

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(CNC(=O)CNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])N2CCOCC2

Isomeric SMILES

CCC(CC)C(CNC(=O)CNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])N2CCOCC2

InChI

InChI=1S/C20H30N4O5/c1-3-15(4-2)18(23-8-10-29-11-9-23)13-21-19(25)14-22-20(26)16-6-5-7-17(12-16)24(27)28/h5-7,12,15,18H,3-4,8-11,13-14H2,1-2H3,(H,21,25)(H,22,26)