[4-(2-nitro-1-oxidanyl-propyl)phenyl] benzoate

Systemtic Name: [4-(2-nitro-1-oxidanyl-propyl)phenyl] benzoate Openeye Name: [4-(1-hydroxy-2-nitro-propyl)phenyl] benzoate CAS Name: benzoic acid [4-(1-hydroxy-2-nitropropyl)phenyl] ester IUPAC Name: [4-(1-hydroxy-2-nitropropyl)phenyl] benzoate Traditional Name: benzoic acid [4-(1-hydroxy-2-nitro-propyl)phenyl] ester Formula: C16H15NO5 MolecularWeight: 301.294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO5/c1-11(17(20)21)15(18)12-7-9-14(10-8-12)22-16(19)13-5-3-2-4-6-13/h2-11,15,18H,1H3