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

Systemtic Name: N-[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridinyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridyl]-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C21H20N6O5 MolecularWeight: 436.4207

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N6O5/c1-13-10-14(2)26(24-13)19-8-5-15(12-22-19)23-20(28)4-3-9-25-17-7-6-16(27(30)31)11-18(17)32-21(25)29/h5-8,10-12H,3-4,9H2,1-2H3,(H,23,28)