azane; 2-(2-diethylaminoethyl)-5-nitro-phenol; hydrate; hydrochloride

Systemtic Name: azane; 2-(2-diethylaminoethyl)-5-nitro-phenol; hydrate; hydrochloride Openeye Name: ammonia; 2-(2-diethylaminoethyl)-5-nitro-phenol; hydrate; hydrochloride CAS Name: ammonia; 2-(2-diethylaminoethyl)-5-nitrophenol; hydrate; hydrochloride IUPAC Name: azane; 2-(2-diethylaminoethyl)-5-nitrophenol; hydrate; hydrochloride Traditional Name: ammonia; 2-(2-diethylaminoethyl)-5-nitro-phenol; hydrate; hydrochloride Formula: C12H24ClN3O4 MolecularWeight: 309.78966

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1=C(C=C(C=C1)[N+](=O)[O-])O.N.O.Cl

Isomeric SMILES

CCN(CC)CCC1=C(C=C(C=C1)[N+](=O)[O-])O.N.O.Cl

InChI

InChI=1S/C12H18N2O3.ClH.H3N.H2O/c1-3-13(4-2)8-7-10-5-6-11(14(16)17)9-12(10)15;;;/h5-6,9,15H,3-4,7-8H2,1-2H3;1H;1H3;1H2