3-[(3-methyl-4-nitro-phenoxy)methyl]benzoate

Systemtic Name: 3-[(3-methyl-4-nitro-phenoxy)methyl]benzoate Openeye Name: 3-[(3-methyl-4-nitro-phenoxy)methyl]benzoate CAS Name: 3-[(3-methyl-4-nitrophenoxy)methyl]benzoate IUPAC Name: 3-[(3-methyl-4-nitrophenoxy)methyl]benzoate Traditional Name: 3-[(3-methyl-4-nitro-phenoxy)methyl]benzoate Formula: C15H12NO5- MolecularWeight: 286.25948

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