2-(2-acetamido-2-acetyloxy-ethyl)-5-[(4-nitrophenyl)methyl]benzoic acid

Systemtic Name: 2-(2-acetamido-2-acetyloxy-ethyl)-5-[(4-nitrophenyl)methyl]benzoic acid Openeye Name: 2-(2-acetamido-2-acetoxy-ethyl)-5-[(4-nitrophenyl)methyl]benzoic acid CAS Name: 2-(2-acetamido-2-acetyloxyethyl)-5-[(4-nitrophenyl)methyl]benzoic acid IUPAC Name: 2-(2-acetamido-2-acetyloxyethyl)-5-[(4-nitrophenyl)methyl]benzoic acid Traditional Name: 2-(2-acetamido-2-acetoxy-ethyl)-5-(4-nitrobenzyl)benzoic acid Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=C(C=C(C=C1)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O)OC(=O)C

Isomeric SMILES

CC(=O)NC(CC1=C(C=C(C=C1)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O)OC(=O)C

InChI

InChI=1S/C20H20N2O7/c1-12(23)21-19(29-13(2)24)11-16-6-3-15(10-18(16)20(25)26)9-14-4-7-17(8-5-14)22(27)28/h3-8,10,19H,9,11H2,1-2H3,(H,21,23)(H,25,26)