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

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C22H21N5O5 MolecularWeight: 435.43264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C22H21N5O5/c1-14-21(15(2)26(24-14)16-7-4-3-5-8-16)23-20(28)9-6-12-25-18-11-10-17(27(30)31)13-19(18)32-22(25)29/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3,(H,23,28)