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2-[3-[ethyl(2-nitroethyl)amino]phenoxy]ethanol hydrate

2-[3-[ethyl(2-nitroethyl)amino]phenoxy]ethanol hydrate

Systemtic Name:2-[3-[ethyl(2-nitroethyl)amino]phenoxy]ethanol hydrate
Openeye Name:2-[3-[ethyl(2-nitroethyl)amino]phenoxy]ethanol hydrate
CAS Name:2-[3-[ethyl(2-nitroethyl)amino]phenoxy]ethanol hydrate
IUPAC Name:2-[3-[ethyl(2-nitroethyl)amino]phenoxy]ethanol hydrate
Traditional Name:2-[3-[ethyl(2-nitroethyl)amino]phenoxy]ethanol hydrate
Formula: C12H20N2O5
MolecularWeight: 272.2976
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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC[N+](=O)[O-])C1=CC(=CC=C1)OCCO.O


Isomeric SMILES

CCN(CC[N+](=O)[O-])C1=CC(=CC=C1)OCCO.O


InChI

InChI=1S/C12H18N2O4.H2O/c1-2-13(6-7-14(16)17)11-4-3-5-12(10-11)18-9-8-15;/h3-5,10,15H,2,6-9H2,1H3;1H2


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