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

Systemtic Name: O1-ethyl O3-[[4-(phenylcarbamoyl)phenyl]methyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[[4-(phenylcarbamoyl)phenyl]methyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[[4-[anilino(oxo)methyl]phenyl]methyl] ester O1-ethyl ester IUPAC Name: 1-O-ethyl 3-O-[[4-(phenylcarbamoyl)phenyl]methyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[4-(phenylcarbamoyl)benzyl] ester Formula: C24H20N2O7 MolecularWeight: 448.4248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H20N2O7/c1-2-32-23(28)18-12-19(14-21(13-18)26(30)31)24(29)33-15-16-8-10-17(11-9-16)22(27)25-20-6-4-3-5-7-20/h3-14H,2,15H2,1H3,(H,25,27)