[1-[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl] 3-methyl-4-nitro-benzoate

Systemtic Name: [1-[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl] 3-methyl-4-nitro-benzoate Openeye Name: [2-[[2-(2,6-dimethylanilino)-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-[[2-(2,6-dimethylanilino)-2-keto-ethyl]amino]-2-keto-1-methyl-ethyl] ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C(C)OC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)C(C)OC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C21H23N3O6/c1-12-6-5-7-13(2)19(12)23-18(25)11-22-20(26)15(4)30-21(27)16-8-9-17(24(28)29)14(3)10-16/h5-10,15H,11H2,1-4H3,(H,22,26)(H,23,25)