(4-nitrophenyl)methyl 2-acetamido-2-acetyloxy-3-chloranyl-propanoate

Systemtic Name: (4-nitrophenyl)methyl 2-acetamido-2-acetyloxy-3-chloranyl-propanoate Openeye Name: (4-nitrophenyl)methyl 2-acetamido-2-acetoxy-3-chloro-propanoate CAS Name: 2-acetamido-2-acetyloxy-3-chloropropanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-acetamido-2-acetyloxy-3-chloropropanoate Traditional Name: 2-acetamido-2-acetoxy-3-chloro-propionic acid (4-nitrobenzyl) ester Formula: C14H15ClN2O7 MolecularWeight: 358.7311

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCl)(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C

Isomeric SMILES

CC(=O)NC(CCl)(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C

InChI

InChI=1S/C14H15ClN2O7/c1-9(18)16-14(8-15,24-10(2)19)13(20)23-7-11-3-5-12(6-4-11)17(21)22/h3-6H,7-8H2,1-2H3,(H,16,18)