3-[bis(2-hydroxyethyl)amino]-1-(4-nitrophenyl)propan-1-one

Systemtic Name: 3-[bis(2-hydroxyethyl)amino]-1-(4-nitrophenyl)propan-1-one Openeye Name: 3-[bis(2-hydroxyethyl)amino]-1-(4-nitrophenyl)propan-1-one CAS Name: 3-[bis(2-hydroxyethyl)amino]-1-(4-nitrophenyl)-1-propanone IUPAC Name: 3-[bis(2-hydroxyethyl)amino]-1-(4-nitrophenyl)propan-1-one Traditional Name: 3-[bis(2-hydroxyethyl)amino]-1-(4-nitrophenyl)propan-1-one Formula: C13H18N2O5 MolecularWeight: 282.29242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CCN(CCO)CCO)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)CCN(CCO)CCO)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O5/c16-9-7-14(8-10-17)6-5-13(18)11-1-3-12(4-2-11)15(19)20/h1-4,16-17H,5-10H2