[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 4-ethoxy-3-nitro-benzoate

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 4-ethoxy-3-nitro-benzoate Openeye Name: [2-(2,6-diethylanilino)-2-oxo-ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [2-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [2-(2,6-diethylanilino)-2-keto-ethyl] ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O6/c1-4-14-8-7-9-15(5-2)20(14)22-19(24)13-29-21(25)16-10-11-18(28-6-3)17(12-16)23(26)27/h7-12H,4-6,13H2,1-3H3,(H,22,24)