(3-phenoxyphenyl)methyl 2-methyl-3-nitro-benzoate

Systemtic Name: (3-phenoxyphenyl)methyl 2-methyl-3-nitro-benzoate Openeye Name: (3-phenoxyphenyl)methyl 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-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[N+](=O)[O-])C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

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

InChI

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