ethyl 3-[[4-(ethoxymethyl)phenyl]methylcarbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[4-(ethoxymethyl)phenyl]methylcarbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[4-(ethoxymethyl)phenyl]methylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[[4-(ethoxymethyl)phenyl]methylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(ethoxymethyl)phenyl]methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(ethoxymethyl)benzyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=CC=C(C=C1)CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOCC1=CC=C(C=C1)CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C20H22N2O6/c1-3-27-13-15-7-5-14(6-8-15)12-21-19(23)16-9-17(20(24)28-4-2)11-18(10-16)22(25)26/h5-11H,3-4,12-13H2,1-2H3,(H,21,23)