ethyl 3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(diethylaminomethyl)phenyl]methylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(diethylaminomethyl)benzyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=CC=C1CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCN(CC)CC1=CC=CC=C1CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C22H27N3O5/c1-4-24(5-2)15-17-10-8-7-9-16(17)14-23-21(26)18-11-19(22(27)30-6-3)13-20(12-18)25(28)29/h7-13H,4-6,14-15H2,1-3H3,(H,23,26)