2-(4-acetamidophenyl)ethanoic acid; N-[2-(4-nitrophenyl)ethyl]ethanamide; N-phenylethanamide

Systemtic Name: 2-(4-acetamidophenyl)ethanoic acid; N-[2-(4-nitrophenyl)ethyl]ethanamide; N-phenylethanamide Openeye Name: 2-(4-acetamidophenyl)acetic acid; N-[2-(4-nitrophenyl)ethyl]acetamide; N-phenylacetamide CAS Name: 2-(4-acetamidophenyl)acetic acid; N-[2-(4-nitrophenyl)ethyl]acetamide; N-phenylacetamide IUPAC Name: 2-(4-acetamidophenyl)acetic acid; N-[2-(4-nitrophenyl)ethyl]acetamide; N-phenylacetamide Traditional Name: 2-(4-acetamidophenyl)acetic acid; N-[2-(4-nitrophenyl)ethyl]acetamide; N-phenylacetamide Formula: C28H32N4O7 MolecularWeight: 536.57628

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC=C(C=C1)[N+](=O)[O-].CC(=O)NC1=CC=CC=C1.CC(=O)NC1=CC=C(C=C1)CC(=O)O

Isomeric SMILES

CC(=O)NCCC1=CC=C(C=C1)[N+](=O)[O-].CC(=O)NC1=CC=CC=C1.CC(=O)NC1=CC=C(C=C1)CC(=O)O

InChI

InChI=1S/C10H12N2O3.C10H11NO3.C8H9NO/c1-8(13)11-7-6-9-2-4-10(5-3-9)12(14)15;1-7(12)11-9-4-2-8(3-5-9)6-10(13)14;1-7(10)9-8-5-3-2-4-6-8/h2-5H,6-7H2,1H3,(H,11,13);2-5H,6H2,1H3,(H,11,12)(H,13,14);2-6H,1H3,(H,9,10)