3-[(2-methyl-5-nitro-phenoxy)methyl]benzoic acid

Systemtic Name: 3-[(2-methyl-5-nitro-phenoxy)methyl]benzoic acid Openeye Name: 3-[(2-methyl-5-nitro-phenoxy)methyl]benzoic acid CAS Name: 3-[(2-methyl-5-nitrophenoxy)methyl]benzoic acid IUPAC Name: 3-[(2-methyl-5-nitrophenoxy)methyl]benzoic acid Traditional Name: 3-[(2-methyl-5-nitro-phenoxy)methyl]benzoic acid Formula: C15H13NO5 MolecularWeight: 287.26742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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