[1-[(2,6-diethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-nitrobenzoate

Systemtic Name: [1-[(2,6-diethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-nitrobenzoate Openeye Name: [2-(2,6-diethylanilino)-1-methyl-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [1-(2,6-diethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,6-diethylanilino)-1-oxopropan-2-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-(2,6-diethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5/c1-4-14-9-8-10-15(5-2)18(14)21-19(23)13(3)27-20(24)16-11-6-7-12-17(16)22(25)26/h6-13H,4-5H2,1-3H3,(H,21,23)