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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 2-[4-(methylamino)-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]-oxomethyl]benzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 2-[4-(methylamino)-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-(methylamino)-3-nitro-benzoyl]benzoic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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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)NC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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