(4-nitrophenyl)methyl carbamate; 2-phenylethanoic acid

Systemtic Name: (4-nitrophenyl)methyl carbamate; 2-phenylethanoic acid Openeye Name: (4-nitrophenyl)methyl carbamate; 2-phenylacetic acid CAS Name: carbamic acid (4-nitrophenyl)methyl ester; 2-phenylacetic acid IUPAC Name: (4-nitrophenyl)methyl carbamate; 2-phenylacetic acid Traditional Name: carbamic acid (4-nitrobenzyl) ester; 2-phenylacetic acid Formula: C16H16N2O6 MolecularWeight: 332.30804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)O.C1=CC(=CC=C1COC(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)O.C1=CC(=CC=C1COC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C8H8N2O4.C8H8O2/c9-8(11)14-5-6-1-3-7(4-2-6)10(12)13;9-8(10)6-7-4-2-1-3-5-7/h1-4H,5H2,(H2,9,11);1-5H,6H2,(H,9,10)