[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCOC

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCOC

InChI

InChI=1S/C21H25N3O6/c1-14(2)16-6-4-5-7-19(16)23-20(25)13-30-21(26)17-12-15(24(27)28)8-9-18(17)22-10-11-29-3/h4-9,12,14,22H,10-11,13H2,1-3H3,(H,23,25)