[1-[(2,6-diethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-4-nitro-benzoate

Systemtic Name: [1-[(2,6-diethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-4-nitro-benzoate Openeye Name: [2-(2,6-diethylanilino)-1-methyl-2-oxo-ethyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [1-(2,6-diethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,6-diethylanilino)-1-oxopropan-2-yl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [2-(2,6-diethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H21ClN2O5 MolecularWeight: 404.84414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O5/c1-4-13-7-6-8-14(5-2)18(13)22-19(24)12(3)28-20(25)16-10-9-15(23(26)27)11-17(16)21/h6-12H,4-5H2,1-3H3,(H,22,24)