2-[[(E)-1-[2-(methoxymethylsulfanyl)ethylamino]-2-nitro-ethenyl]amino]-1-phenyl-ethanol

Systemtic Name: 2-[[(E)-1-[2-(methoxymethylsulfanyl)ethylamino]-2-nitro-ethenyl]amino]-1-phenyl-ethanol Openeye Name: 2-[[(E)-1-[2-(methoxymethylsulfanyl)ethylamino]-2-nitro-vinyl]amino]-1-phenyl-ethanol CAS Name: 2-[[(E)-1-[2-(methoxymethylthio)ethylamino]-2-nitroethenyl]amino]-1-phenylethanol IUPAC Name: 2-[[(E)-1-[2-(methoxymethylsulfanyl)ethylamino]-2-nitroethenyl]amino]-1-phenylethanol Traditional Name: 2-[[(E)-1-[2-(methoxymethylthio)ethylamino]-2-nitro-vinyl]amino]-1-phenyl-ethanol Formula: C14H21N3O4S MolecularWeight: 327.39924

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Descriptors Computed from Structure

Canonical SMILES:

COCSCCNC(=C[N+](=O)[O-])NCC(C1=CC=CC=C1)O

Isomeric SMILES

COCSCCN/C(=C/[N+](=O)[O-])/NCC(C1=CC=CC=C1)O

InChI

InChI=1S/C14H21N3O4S/c1-21-11-22-8-7-15-14(10-17(19)20)16-9-13(18)12-5-3-2-4-6-12/h2-6,10,13,15-16,18H,7-9,11H2,1H3/b14-10-