5-nitro-2-[(1S)-1-phenylethoxy]benzoic acid

Systemtic Name: 5-nitro-2-[(1S)-1-phenylethoxy]benzoic acid Openeye Name: 5-nitro-2-[(1S)-1-phenylethoxy]benzoic acid CAS Name: 5-nitro-2-[(1S)-1-phenylethoxy]benzoic acid IUPAC Name: 5-nitro-2-[(1S)-1-phenylethoxy]benzoic acid Traditional Name: 5-nitro-2-[(1S)-1-phenylethoxy]benzoic acid Formula: C15H13NO5 MolecularWeight: 287.26742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13NO5/c1-10(11-5-3-2-4-6-11)21-14-8-7-12(16(19)20)9-13(14)15(17)18/h2-10H,1H3,(H,17,18)/t10-/m0/s1