methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-3-oxidanylidene-butanoate Openeye Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-3-oxo-butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(3,5-dimethyl-4-nitro-1-pyrazolyl)-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(3,5-dimethyl-4-nitropyrazol-1-yl)-3-oxobutanoate Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-3-keto-butyric acid methyl ester Formula: C17H17N5O5 MolecularWeight: 371.34738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)C(=C2NC3=CC=CC=C3N2)C(=O)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)C(=C2NC3=CC=CC=C3N2)C(=O)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O5/c1-9-15(22(25)26)10(2)21(20-9)8-13(23)14(17(24)27-3)16-18-11-6-4-5-7-12(11)19-16/h4-7,18-19H,8H2,1-3H3