[2-[[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 3-methyl-2-nitro-benzoate

Systemtic Name: [2-[[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 3-methyl-2-nitro-benzoate Openeye Name: [2-[[2-(2,5-dimethylanilino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid [2-[[2-(2,5-dimethylanilino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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