N-(2-methyl-5-methylsulfonyl-phenyl)-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-(2-methyl-5-methylsulfonyl-phenyl)-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-(2-methyl-5-methylsulfonyl-phenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-(2-methyl-5-methylsulfonylphenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-(2-methyl-5-methylsulfonylphenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)-N-(5-mesyl-2-methyl-phenyl)butyramide Formula: C19H19N3O7S MolecularWeight: 433.43506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C19H19N3O7S/c1-12-5-7-14(30(2,27)28)11-15(12)20-18(23)4-3-9-21-16-8-6-13(22(25)26)10-17(16)29-19(21)24/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,23)