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

Systemtic Name: [2-[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 2-methyl-6-nitro-benzoate Openeye Name: [2-[[2-(2,6-dimethylanilino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-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-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid [2-[[2-(2,6-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=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC(=O)N(C)CC(=O)NC2=C(C=CC=C2C)C

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC(=O)N(C)CC(=O)NC2=C(C=CC=C2C)C

InChI

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