methyl (2Z)-2-(4-nitro-1,2-dihydropyrazol-3-ylidene)benzimidazole-5-carboxylate

Systemtic Name: methyl (2Z)-2-(4-nitro-1,2-dihydropyrazol-3-ylidene)benzimidazole-5-carboxylate Openeye Name: methyl (2Z)-2-(4-nitro-1,2-dihydropyrazol-3-ylidene)benzimidazole-5-carboxylate CAS Name: (2Z)-2-(4-nitro-1,2-dihydropyrazol-3-ylidene)-5-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl (2Z)-2-(4-nitro-1,2-dihydropyrazol-3-ylidene)benzimidazole-5-carboxylate Traditional Name: (2Z)-2-(4-nitro-3-pyrazolin-3-ylidene)benzimidazole-5-carboxylic acid methyl ester Formula: C12H9N5O4 MolecularWeight: 287.23096

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=NC(=C3C(=CNN3)[N+](=O)[O-])N=C2C=C1

Isomeric SMILES

COC(=O)C1=CC2=N/C(=C\3/C(=CNN3)[N+](=O)[O-])/N=C2C=C1

InChI

InChI=1S/C12H9N5O4/c1-21-12(18)6-2-3-7-8(4-6)15-11(14-7)10-9(17(19)20)5-13-16-10/h2-5,13,16H,1H3/b11-10-