(3-methylphenyl)methyl 4-ethoxy-3-nitro-benzoate

Systemtic Name: (3-methylphenyl)methyl 4-ethoxy-3-nitro-benzoate Openeye Name: m-tolylmethyl 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid (3-methylbenzyl) ester Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC2=CC=CC(=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC2=CC=CC(=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C17H17NO5/c1-3-22-16-8-7-14(10-15(16)18(20)21)17(19)23-11-13-6-4-5-12(2)9-13/h4-10H,3,11H2,1-2H3