O1-ethyl O3-[(2-methoxy-5-nitro-phenyl)methyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-ethyl O3-[(2-methoxy-5-nitro-phenyl)methyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[(2-methoxy-5-nitro-phenyl)methyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[(2-methoxy-5-nitrophenyl)methyl] ester IUPAC Name: 1-O-ethyl 3-O-[(2-methoxy-5-nitrophenyl)methyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-(2-methoxy-5-nitro-benzyl) ester Formula: C18H16N2O9 MolecularWeight: 404.32764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O9/c1-3-28-17(21)11-6-12(8-15(7-11)20(25)26)18(22)29-10-13-9-14(19(23)24)4-5-16(13)27-2/h4-9H,3,10H2,1-2H3