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

Systemtic Name: [2-[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 4-methyl-3-nitro-benzoate Openeye Name: [2-[[2-(2,6-dimethylanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-[[2-(2,6-dimethylanilino)-2-keto-ethyl]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)CNC(=O)COC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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