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

Systemtic Name: azane; 2-(2-azanylethyl)-5-nitro-phenol; hydrate; hydrochloride Openeye Name: 2-(2-aminoethyl)-5-nitro-phenol; ammonia; hydrate; hydrochloride CAS Name: 2-(2-aminoethyl)-5-nitrophenol; ammonia; hydrate; hydrochloride IUPAC Name: 2-(2-aminoethyl)-5-nitrophenol; azane; hydrate; hydrochloride Traditional Name: 2-(2-aminoethyl)-5-nitro-phenol; ammonia; hydrate; hydrochloride Formula: C8H16ClN3O4 MolecularWeight: 253.68334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10N2O3.ClH.H3N.H2O/c9-4-3-6-1-2-7(10(12)13)5-8(6)11;;;/h1-2,5,11H,3-4,9H2;1H;1H3;1H2