[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-[4-(dimethylamino)-3-nitro-phenyl]carbonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-[4-(dimethylamino)-3-nitro-phenyl]carbonylbenzoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 2-[4-(dimethylamino)-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-(dimethylamino)-3-nitrophenyl]-oxomethyl]benzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 2-[4-(dimethylamino)-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-(dimethylamino)-3-nitro-benzoyl]benzoic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)COC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

InChI

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