N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]-N-(3-morpholin-4-ylpropyl)-3-nitro-benzamide

Systemtic Name: N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]-N-(3-morpholin-4-ylpropyl)-3-nitro-benzamide Openeye Name: N-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]-N-(3-morpholinopropyl)-3-nitro-benzamide CAS Name: N-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]-N-[3-(4-morpholinyl)propyl]-3-nitrobenzamide IUPAC Name: N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-3-nitrobenzamide Traditional Name: N-[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]-N-(3-morpholinopropyl)-3-nitro-benzamide Formula: C20H25N5O6 MolecularWeight: 431.4424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CN(CCCN2CCOCC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CN(CCCN2CCOCC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O6/c1-15-12-18(22-31-15)21-19(26)14-24(7-3-6-23-8-10-30-11-9-23)20(27)16-4-2-5-17(13-16)25(28)29/h2,4-5,12-13H,3,6-11,14H2,1H3,(H,21,22,26)