(2R)-2-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)-3-(4-nitropyrazol-1-yl)propanamide

Systemtic Name: (2R)-2-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)-3-(4-nitropyrazol-1-yl)propanamide Openeye Name: (2R)-2-methyl-N-(4-morpholino-2,1,3-benzoxadiazol-7-yl)-3-(4-nitropyrazol-1-yl)propanamide CAS Name: (2R)-2-methyl-N-[4-(4-morpholinyl)-2,1,3-benzoxadiazol-7-yl]-3-(4-nitro-1-pyrazolyl)propanamide IUPAC Name: (2R)-2-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)-3-(4-nitropyrazol-1-yl)propanamide Traditional Name: (2R)-2-methyl-N-(7-morpholinobenzofurazan-4-yl)-3-(4-nitropyrazol-1-yl)propionamide Formula: C17H19N7O5 MolecularWeight: 401.37666

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC=C(C3=NON=C23)N4CCOCC4

Isomeric SMILES

C[C@H](CN1C=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC=C(C3=NON=C23)N4CCOCC4

InChI

InChI=1S/C17H19N7O5/c1-11(9-23-10-12(8-18-23)24(26)27)17(25)19-13-2-3-14(16-15(13)20-29-21-16)22-4-6-28-7-5-22/h2-3,8,10-11H,4-7,9H2,1H3,(H,19,25)/t11-/m1/s1