[2-[(5-chloranyl-2-nitro-phenyl)methyl]-3-oxidanyl-propyl] propanoate

Systemtic Name: [2-[(5-chloranyl-2-nitro-phenyl)methyl]-3-oxidanyl-propyl] propanoate Openeye Name: [2-[(5-chloro-2-nitro-phenyl)methyl]-3-hydroxy-propyl] propanoate CAS Name: propanoic acid [2-[(5-chloro-2-nitrophenyl)methyl]-3-hydroxypropyl] ester IUPAC Name: [2-[(5-chloro-2-nitrophenyl)methyl]-3-hydroxypropyl] propanoate Traditional Name: propionic acid [2-(5-chloro-2-nitro-benzyl)-3-hydroxy-propyl] ester Formula: C13H16ClNO5 MolecularWeight: 301.72284

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCC(CC1=C(C=CC(=C1)Cl)[N+](=O)[O-])CO

Isomeric SMILES

CCC(=O)OCC(CC1=C(C=CC(=C1)Cl)[N+](=O)[O-])CO

InChI

InChI=1S/C13H16ClNO5/c1-2-13(17)20-8-9(7-16)5-10-6-11(14)3-4-12(10)15(18)19/h3-4,6,9,16H,2,5,7-8H2,1H3