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

Systemtic Name: ethyl 3-[[3-(diethylaminomethyl)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[3-(diethylaminomethyl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[3-(diethylaminomethyl)anilino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[3-(diethylaminomethyl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[3-(diethylaminomethyl)phenyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC(=CC=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCN(CC)CC1=CC(=CC=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C21H25N3O5/c1-4-23(5-2)14-15-8-7-9-18(10-15)22-20(25)16-11-17(21(26)29-6-3)13-19(12-16)24(27)28/h7-13H,4-6,14H2,1-3H3,(H,22,25)