[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate Openeye Name: [(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl] 2-[4-(methylamino)-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]-oxomethyl]benzoic acid [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-[4-(methylamino)-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-(methylamino)-3-nitro-benzoyl]benzoic acid [(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NC(C)C)OC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6/c1-12(2)23-20(26)13(3)30-21(27)16-8-6-5-7-15(16)19(25)14-9-10-17(22-4)18(11-14)24(28)29/h5-13,22H,1-4H3,(H,23,26)/t13-/m0/s1