O1-ethyl O3-[4-(methylcarbamoyl)phenyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-ethyl O3-[4-(methylcarbamoyl)phenyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[4-(methylcarbamoyl)phenyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[4-(methylcarbamoyl)phenyl] ester IUPAC Name: 1-O-ethyl 3-O-[4-(methylcarbamoyl)phenyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[4-(methylcarbamoyl)phenyl] ester Formula: C18H16N2O7 MolecularWeight: 372.32884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OC2=CC=C(C=C2)C(=O)NC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OC2=CC=C(C=C2)C(=O)NC)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O7/c1-3-26-17(22)12-8-13(10-14(9-12)20(24)25)18(23)27-15-6-4-11(5-7-15)16(21)19-2/h4-10H,3H2,1-2H3,(H,19,21)