O1-methyl O3-(4-methyl-2-propanoyl-phenyl) 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-(4-methyl-2-propanoyl-phenyl) 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-(4-methyl-2-propanoyl-phenyl) 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[4-methyl-2-(1-oxopropyl)phenyl] ester IUPAC Name: 1-O-methyl 3-O-(4-methyl-2-propanoylphenyl) 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-(4-methyl-2-propionyl-phenyl) ester Formula: C19H17NO7 MolecularWeight: 371.34078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO7/c1-4-16(21)15-7-11(2)5-6-17(15)27-19(23)13-8-12(18(22)26-3)9-14(10-13)20(24)25/h5-10H,4H2,1-3H3