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

Systemtic Name: N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]-N-(3-morpholin-4-ylpropyl)-4-nitro-benzamide Openeye Name: N-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]-N-(3-morpholinopropyl)-4-nitro-benzamide CAS Name: N-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]-N-[3-(4-morpholinyl)propyl]-4-nitrobenzamide IUPAC Name: N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-4-nitrobenzamide Traditional Name: N-[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]-N-(3-morpholinopropyl)-4-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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O6/c1-15-13-18(22-31-15)21-19(26)14-24(8-2-7-23-9-11-30-12-10-23)20(27)16-3-5-17(6-4-16)25(28)29/h3-6,13H,2,7-12,14H2,1H3,(H,21,22,26)