[1-[(2,6-diethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methyl-3,5-dinitro-benzoate

Systemtic Name: [1-[(2,6-diethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methyl-3,5-dinitro-benzoate Openeye Name: [2-(2,6-diethylanilino)-1-methyl-2-oxo-ethyl] 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid [1-(2,6-diethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,6-diethylanilino)-1-oxopropan-2-yl] 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid [2-(2,6-diethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H23N3O7 MolecularWeight: 429.42322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O7/c1-5-14-8-7-9-15(6-2)19(14)22-20(25)13(4)31-21(26)16-10-17(23(27)28)12(3)18(11-16)24(29)30/h7-11,13H,5-6H2,1-4H3,(H,22,25)