[2-[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 2-nitrobenzoate

Systemtic Name: [2-[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 2-nitrobenzoate Openeye Name: [2-[[2-(2,6-dimethylanilino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-[[2-(2,6-dimethylanilino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)COC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)COC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6/c1-13-7-6-8-14(2)19(13)21-17(24)11-22(3)18(25)12-29-20(26)15-9-4-5-10-16(15)23(27)28/h4-10H,11-12H2,1-3H3,(H,21,24)