3-[(3-methyl-2-nitro-phenoxy)methyl]benzoic acid

Systemtic Name: 3-[(3-methyl-2-nitro-phenoxy)methyl]benzoic acid Openeye Name: 3-[(3-methyl-2-nitro-phenoxy)methyl]benzoic acid CAS Name: 3-[(3-methyl-2-nitrophenoxy)methyl]benzoic acid IUPAC Name: 3-[(3-methyl-2-nitrophenoxy)methyl]benzoic acid Traditional Name: 3-[(3-methyl-2-nitro-phenoxy)methyl]benzoic acid Formula: C15H13NO5 MolecularWeight: 287.26742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC2=CC=CC(=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)OCC2=CC=CC(=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H13NO5/c1-10-4-2-7-13(14(10)16(19)20)21-9-11-5-3-6-12(8-11)15(17)18/h2-8H,9H2,1H3,(H,17,18)