N-methoxy-2-nitro-5-phenoxy-hexan-3-amine

Systemtic Name: N-methoxy-2-nitro-5-phenoxy-hexan-3-amine Openeye Name: N-methoxy-2-nitro-5-phenoxy-hexan-3-amine CAS Name: N-methoxy-2-nitro-5-phenoxy-3-hexanamine IUPAC Name: N-methoxy-2-nitro-5-phenoxyhexan-3-amine Traditional Name: methoxy-[1-(1-nitroethyl)-3-phenoxy-butyl]amine Formula: C13H20N2O4 MolecularWeight: 268.3089

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(C)[N+](=O)[O-])NOC)OC1=CC=CC=C1

Isomeric SMILES

CC(CC(C(C)[N+](=O)[O-])NOC)OC1=CC=CC=C1

InChI

InChI=1S/C13H20N2O4/c1-10(19-12-7-5-4-6-8-12)9-13(14-18-3)11(2)15(16)17/h4-8,10-11,13-14H,9H2,1-3H3