2-nitro-4-[2-[3-(piperidin-1-ylmethyl)phenoxy]ethoxy]but-1-ene-1,1-diamine

Systemtic Name: 2-nitro-4-[2-[3-(piperidin-1-ylmethyl)phenoxy]ethoxy]but-1-ene-1,1-diamine Openeye Name: 2-nitro-4-[2-[3-(1-piperidylmethyl)phenoxy]ethoxy]but-1-ene-1,1-diamine CAS Name: 2-nitro-4-[2-[3-(1-piperidinylmethyl)phenoxy]ethoxy]-1-butene-1,1-diamine IUPAC Name: 2-nitro-4-[2-[3-(piperidin-1-ylmethyl)phenoxy]ethoxy]but-1-ene-1,1-diamine Traditional Name: [1-amino-2-nitro-4-[2-[3-(piperidinomethyl)phenoxy]ethoxy]but-1-enyl]amine Formula: C18H28N4O4 MolecularWeight: 364.43932

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)OCCOCCC(=C(N)N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)OCCOCCC(=C(N)N)[N+](=O)[O-]

InChI

InChI=1S/C18H28N4O4/c19-18(20)17(22(23)24)7-10-25-11-12-26-16-6-4-5-15(13-16)14-21-8-2-1-3-9-21/h4-6,13H,1-3,7-12,14,19-20H2