(3-phenoxyphenyl)methyl 3-methyl-4-nitro-benzoate

Systemtic Name: (3-phenoxyphenyl)methyl 3-methyl-4-nitro-benzoate Openeye Name: (3-phenoxyphenyl)methyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (3-phenoxybenzyl) ester Formula: C21H17NO5 MolecularWeight: 363.36338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17NO5/c1-15-12-17(10-11-20(15)22(24)25)21(23)26-14-16-6-5-9-19(13-16)27-18-7-3-2-4-8-18/h2-13H,14H2,1H3