4-nitrobenzoic acid; (1S,6S)-7-oxabicyclo[4.1.0]heptane

Systemtic Name: 4-nitrobenzoic acid; (1S,6S)-7-oxabicyclo[4.1.0]heptane Openeye Name: 4-nitrobenzoic acid; (1S,6S)-7-oxabicyclo[4.1.0]heptane CAS Name: 4-nitrobenzoic acid; (1S,6S)-7-oxabicyclo[4.1.0]heptane IUPAC Name: 4-nitrobenzoic acid; (1S,6S)-7-oxabicyclo[4.1.0]heptane Traditional Name: 4-nitrobenzoic acid; (1S,6S)-7-oxabicyclo[4.1.0]heptane Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)O2.C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CC[C@H]2[C@H](C1)O2.C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C7H5NO4.C6H10O/c9-7(10)5-1-3-6(4-2-5)8(11)12;1-2-4-6-5(3-1)7-6/h1-4H,(H,9,10);5-6H,1-4H2/t;5-,6-/m.0/s1