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

Systemtic Name: ethyl 3-[[3-(diethylcarbamoyl)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[3-(diethylcarbamoyl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[3-[diethylamino(oxo)methyl]anilino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[3-(diethylcarbamoyl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[3-(diethylcarbamoyl)phenyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6/c1-4-23(5-2)20(26)14-8-7-9-17(11-14)22-19(25)15-10-16(21(27)30-6-3)13-18(12-15)24(28)29/h7-13H,4-6H2,1-3H3,(H,22,25)