(2Z)-5-methoxy-2-[4-nitro-2-(oxan-2-yl)-1H-pyrazol-5-ylidene]benzimidazole

Systemtic Name: (2Z)-5-methoxy-2-[4-nitro-2-(oxan-2-yl)-1H-pyrazol-5-ylidene]benzimidazole Openeye Name: (2Z)-5-methoxy-2-(4-nitro-2-tetrahydropyran-2-yl-1H-pyrazol-5-ylidene)benzimidazole CAS Name: (2Z)-5-methoxy-2-[4-nitro-2-(2-oxanyl)-1H-pyrazol-5-ylidene]benzimidazole IUPAC Name: (2Z)-5-methoxy-2-[4-nitro-2-(oxan-2-yl)-1H-pyrazol-5-ylidene]benzimidazole Traditional Name: (2Z)-5-methoxy-2-(4-nitro-1-tetrahydropyran-2-yl-3-pyrazolin-3-ylidene)benzimidazole Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C3C(=CN(N3)C4CCCCO4)[N+](=O)[O-])N=C2C=C1

Isomeric SMILES

COC1=CC2=N/C(=C\3/C(=CN(N3)C4CCCCO4)[N+](=O)[O-])/N=C2C=C1

InChI

InChI=1S/C16H17N5O4/c1-24-10-5-6-11-12(8-10)18-16(17-11)15-13(21(22)23)9-20(19-15)14-4-2-3-7-25-14/h5-6,8-9,14,19H,2-4,7H2,1H3/b16-15-