4-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)-2-nitro-aniline hydrochloride

Systemtic Name: 4-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)-2-nitro-aniline hydrochloride Openeye Name: 4-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)-2-nitro-aniline hydrochloride CAS Name: 4-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)-2-nitroaniline hydrochloride IUPAC Name: 4-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)-2-nitroaniline hydrochloride Traditional Name: [4-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)-2-nitro-phenyl]amine hydrochloride Formula: C13H17ClN4O2 MolecularWeight: 296.75268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)NC(=N2)C3=CC(=C(C=C3)N)[N+](=O)[O-].Cl

Isomeric SMILES

C1CCC2C(C1)NC(=N2)C3=CC(=C(C=C3)N)[N+](=O)[O-].Cl

InChI

InChI=1S/C13H16N4O2.ClH/c14-9-6-5-8(7-12(9)17(18)19)13-15-10-3-1-2-4-11(10)16-13;/h5-7,10-11H,1-4,14H2,(H,15,16);1H