[1-(5-chloranyl-2-nitro-phenyl)-4-oxidanyl-butan-2-yl] propanoate

Systemtic Name: [1-(5-chloranyl-2-nitro-phenyl)-4-oxidanyl-butan-2-yl] propanoate Openeye Name: [1-[(5-chloro-2-nitro-phenyl)methyl]-3-hydroxy-propyl] propanoate CAS Name: propanoic acid [1-(5-chloro-2-nitrophenyl)-4-hydroxybutan-2-yl] ester IUPAC Name: [1-(5-chloro-2-nitrophenyl)-4-hydroxybutan-2-yl] propanoate Traditional Name: propionic acid [1-(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)OC(CCO)CC1=C(C=CC(=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)OC(CCO)CC1=C(C=CC(=C1)Cl)[N+](=O)[O-]

InChI

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