(2R)-2-(5-chloranyl-1-ethyl-3-nitro-6-oxidanylidene-pyridazin-4-yl)-2-(1-ethylbenzimidazol-2-yl)ethanenitrile

Systemtic Name: (2R)-2-(5-chloranyl-1-ethyl-3-nitro-6-oxidanylidene-pyridazin-4-yl)-2-(1-ethylbenzimidazol-2-yl)ethanenitrile Openeye Name: (2R)-2-(5-chloro-1-ethyl-3-nitro-6-oxo-pyridazin-4-yl)-2-(1-ethylbenzimidazol-2-yl)acetonitrile CAS Name: (2R)-2-(5-chloro-1-ethyl-3-nitro-6-oxo-4-pyridazinyl)-2-(1-ethyl-2-benzimidazolyl)acetonitrile IUPAC Name: (2R)-2-(5-chloro-1-ethyl-3-nitro-6-oxopyridazin-4-yl)-2-(1-ethylbenzimidazol-2-yl)acetonitrile Traditional Name: (2R)-2-(5-chloro-1-ethyl-6-keto-3-nitro-pyridazin-4-yl)-2-(1-ethylbenzimidazol-2-yl)acetonitrile Formula: C17H15ClN6O3 MolecularWeight: 386.7924

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1C(C#N)C3=C(C(=O)N(N=C3[N+](=O)[O-])CC)Cl

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1[C@@H](C#N)C3=C(C(=O)N(N=C3[N+](=O)[O-])CC)Cl

InChI

InChI=1S/C17H15ClN6O3/c1-3-22-12-8-6-5-7-11(12)20-15(22)10(9-19)13-14(18)17(25)23(4-2)21-16(13)24(26)27/h5-8,10H,3-4H2,1-2H3/t10-/m0/s1