[4-(nitrooxymethyl)phenyl] 2-oxidanylbenzoate

Systemtic Name: [4-(nitrooxymethyl)phenyl] 2-oxidanylbenzoate Openeye Name: [4-(nitrooxymethyl)phenyl] 2-hydroxybenzoate CAS Name: 2-hydroxybenzoic acid [4-(nitrooxymethyl)phenyl] ester IUPAC Name: [4-(nitrooxymethyl)phenyl] 2-hydroxybenzoate Traditional Name: 2-hydroxybenzoic acid [4-(nitrooxymethyl)phenyl] ester Formula: C14H11NO6 MolecularWeight: 289.24024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)CO[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)CO[N+](=O)[O-])O

InChI

InChI=1S/C14H11NO6/c16-13-4-2-1-3-12(13)14(17)21-11-7-5-10(6-8-11)9-20-15(18)19/h1-8,16H,9H2