1-nitroaziridin-2-amine; phenol; hydrate; hydrochloride

Systemtic Name: 1-nitroaziridin-2-amine; phenol; hydrate; hydrochloride Openeye Name: 1-nitroaziridin-2-amine; phenol; hydrate; hydrochloride CAS Name: 1-nitro-2-aziridinamine; phenol; hydrate; hydrochloride IUPAC Name: 1-nitroaziridin-2-amine; phenol; hydrate; hydrochloride Traditional Name: (1-nitroethylenimin-2-yl)amine; phenol; hydrate; hydrochloride Formula: C8H14ClN3O4 MolecularWeight: 251.66746

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N1[N+](=O)[O-])N.C1=CC=C(C=C1)O.O.Cl

Isomeric SMILES

C1C(N1[N+](=O)[O-])N.C1=CC=C(C=C1)O.O.Cl

InChI

InChI=1S/C6H6O.C2H5N3O2.ClH.H2O/c7-6-4-2-1-3-5-6;3-2-1-4(2)5(6)7;;/h1-5,7H;2H,1,3H2;1H;1H2