(E)-N1'-[3-(3-methylphenoxy)propyl]-2-nitro-ethene-1,1-diamine

Systemtic Name: (E)-N1'-[3-(3-methylphenoxy)propyl]-2-nitro-ethene-1,1-diamine Openeye Name: (E)-N1'-[3-(3-methylphenoxy)propyl]-2-nitro-ethene-1,1-diamine CAS Name: (E)-N1'-[3-(3-methylphenoxy)propyl]-2-nitroethene-1,1-diamine IUPAC Name: (E)-1-N'-[3-(3-methylphenoxy)propyl]-2-nitroethene-1,1-diamine Traditional Name: [(E)-1-amino-2-nitro-vinyl]-[3-(3-methylphenoxy)propyl]amine Formula: C12H17N3O3 MolecularWeight: 251.28168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCNC(=C[N+](=O)[O-])N

Isomeric SMILES

CC1=CC(=CC=C1)OCCCN/C(=C/[N+](=O)[O-])/N

InChI

InChI=1S/C12H17N3O3/c1-10-4-2-5-11(8-10)18-7-3-6-14-12(13)9-15(16)17/h2,4-5,8-9,14H,3,6-7,13H2,1H3/b12-9+