(phenylmethyl) N-[4-[1,3-bis(oxidanyl)propan-2-yl]-3-nitro-phenyl]carbamate

Systemtic Name: (phenylmethyl) N-[4-[1,3-bis(oxidanyl)propan-2-yl]-3-nitro-phenyl]carbamate Openeye Name: benzyl N-[4-[2-hydroxy-1-(hydroxymethyl)ethyl]-3-nitro-phenyl]carbamate CAS Name: N-[4-(1,3-dihydroxypropan-2-yl)-3-nitrophenyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[4-(1,3-dihydroxypropan-2-yl)-3-nitrophenyl]carbamate Traditional Name: N-[4-(2-hydroxy-1-methylol-ethyl)-3-nitro-phenyl]carbamic acid benzyl ester Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2=CC(=C(C=C2)C(CO)CO)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2=CC(=C(C=C2)C(CO)CO)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O6/c20-9-13(10-21)15-7-6-14(8-16(15)19(23)24)18-17(22)25-11-12-4-2-1-3-5-12/h1-8,13,20-21H,9-11H2,(H,18,22)