2-[4-(3-imidazol-1-ylpropylamino)-3-nitro-phenoxy]ethanol

Systemtic Name: 2-[4-(3-imidazol-1-ylpropylamino)-3-nitro-phenoxy]ethanol Openeye Name: 2-[4-(3-imidazol-1-ylpropylamino)-3-nitro-phenoxy]ethanol CAS Name: 2-[4-[3-(1-imidazolyl)propylamino]-3-nitrophenoxy]ethanol IUPAC Name: 2-[4-(3-imidazol-1-ylpropylamino)-3-nitrophenoxy]ethanol Traditional Name: 2-[4-(3-imidazol-1-ylpropylamino)-3-nitro-phenoxy]ethanol Formula: C14H18N4O4 MolecularWeight: 306.31712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1OCCO)[N+](=O)[O-])NCCCN2C=CN=C2

Isomeric SMILES

C1=CC(=C(C=C1OCCO)[N+](=O)[O-])NCCCN2C=CN=C2

InChI

InChI=1S/C14H18N4O4/c19-8-9-22-12-2-3-13(14(10-12)18(20)21)16-4-1-6-17-7-5-15-11-17/h2-3,5,7,10-11,16,19H,1,4,6,8-9H2