[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid [2-oxo-2-(2,4,6-trimethylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid (2-keto-2-mesidino-ethyl) ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6/c1-13-9-14(2)20(15(3)10-13)23-19(25)12-30-21(26)17-11-16(24(27)28)5-6-18(17)22-7-8-29-4/h5-6,9-11,22H,7-8,12H2,1-4H3,(H,23,25)