N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-morpholino-3-nitro-benzamide CAS Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-morpholino-3-nitro-benzamide Formula: C19H17N5O7S MolecularWeight: 459.43258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O7S/c1-30-15-9-12(23(26)27)10-16-17(15)20-19(32-16)21-18(25)11-2-3-13(14(8-11)24(28)29)22-4-6-31-7-5-22/h2-3,8-10H,4-7H2,1H3,(H,20,21,25)