(3-methylphenyl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: (3-methylphenyl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: m-tolylmethyl 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid (3-methylbenzyl) ester Formula: C18H19NO6 MolecularWeight: 345.34656

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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-])OC

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO6/c1-4-24-17-9-14(15(19(21)22)10-16(17)23-3)18(20)25-11-13-7-5-6-12(2)8-13/h5-10H,4,11H2,1-3H3