(phenylmethyl) 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: (phenylmethyl) 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: benzyl 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid benzyl ester Formula: C17H17NO6 MolecularWeight: 331.31998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO6/c1-3-23-16-10-14(18(20)21)13(9-15(16)22-2)17(19)24-11-12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3