N-[2-(3-methyl-2H-imidazol-1-yl)ethyl]-2-nitro-4-phenylmethoxy-aniline chloride hydrate

Systemtic Name: N-[2-(3-methyl-2H-imidazol-1-yl)ethyl]-2-nitro-4-phenylmethoxy-aniline chloride hydrate Openeye Name: 4-benzyloxy-N-[2-(3-methyl-2H-imidazol-1-yl)ethyl]-2-nitro-aniline chloride hydrate CAS Name: N-[2-(3-methyl-2H-imidazol-1-yl)ethyl]-2-nitro-4-phenylmethoxyaniline chloride hydrate IUPAC Name: N-[2-(3-methyl-2H-imidazol-1-yl)ethyl]-2-nitro-4-phenylmethoxyaniline chloride hydrate Traditional Name: (4-benzoxy-2-nitro-phenyl)-[2-(3-methyl-4-imidazolin-1-yl)ethyl]amine chloride hydrate Formula: C19H24ClN4O4- MolecularWeight: 407.87126

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Descriptors Computed from Structure

Canonical SMILES:

CN1CN(C=C1)CCNC2=C(C=C(C=C2)OCC3=CC=CC=C3)[N+](=O)[O-].O.[Cl-]

Isomeric SMILES

CN1CN(C=C1)CCNC2=C(C=C(C=C2)OCC3=CC=CC=C3)[N+](=O)[O-].O.[Cl-]

InChI

InChI=1S/C19H22N4O3.ClH.H2O/c1-21-11-12-22(15-21)10-9-20-18-8-7-17(13-19(18)23(24)25)26-14-16-5-3-2-4-6-16;;/h2-8,11-13,20H,9-10,14-15H2,1H3;1H;1H2/p-1