N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[2-(3,5-dimethyl-1-pyrazolyl)phenyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-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=CC(=NN1C2=CC=CC=C2NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=CC=C2NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O)C

InChI

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