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

Systemtic Name: 4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]-N-(3-morpholin-4-ylpropyl)-3-nitro-benzamide Openeye Name: 4-methyl-N-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]-N-(3-morpholinopropyl)-3-nitro-benzamide CAS Name: 4-methyl-N-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]-N-[3-(4-morpholinyl)propyl]-3-nitrobenzamide IUPAC Name: 4-methyl-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]-4-methyl-N-(3-morpholinopropyl)-3-nitro-benzamide Formula: C21H27N5O6 MolecularWeight: 445.46898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CCCN2CCOCC2)CC(=O)NC3=NOC(=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CCCN2CCOCC2)CC(=O)NC3=NOC(=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H27N5O6/c1-15-4-5-17(13-18(15)26(29)30)21(28)25(7-3-6-24-8-10-31-11-9-24)14-20(27)22-19-12-16(2)32-23-19/h4-5,12-13H,3,6-11,14H2,1-2H3,(H,22,23,27)