O1-ethyl O3-(phenylmethyl) 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-ethyl O3-(phenylmethyl) 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-benzyl O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-(phenylmethyl) ester IUPAC Name: 3-O-benzyl 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-benzyl ester O1-ethyl ester Formula: C17H15NO6 MolecularWeight: 329.3041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO6/c1-2-23-16(19)13-8-14(10-15(9-13)18(21)22)17(20)24-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3