ethyl 3-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[2-(2-ethylanilino)-2-oxo-ethyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(2-ethylanilino)-2-oxoethyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(2-ethylanilino)-2-oxoethyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(2-ethylanilino)-2-keto-ethyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C20H21N3O6/c1-3-13-7-5-6-8-17(13)22-18(24)12-21-19(25)14-9-15(20(26)29-4-2)11-16(10-14)23(27)28/h5-11H,3-4,12H2,1-2H3,(H,21,25)(H,22,24)