[(2S)-1-(1-ethanoyl-2,3-dihydroindol-5-yl)-1-oxidanylidene-propan-2-yl] 2-nitrobenzoate

Systemtic Name: [(2S)-1-(1-ethanoyl-2,3-dihydroindol-5-yl)-1-oxidanylidene-propan-2-yl] 2-nitrobenzoate Openeye Name: [(1S)-2-(1-acetylindolin-5-yl)-1-methyl-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [(2S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [(1S)-2-(1-acetylindolin-5-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C)OC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C)OC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O6/c1-12(28-20(25)16-5-3-4-6-18(16)22(26)27)19(24)15-7-8-17-14(11-15)9-10-21(17)13(2)23/h3-8,11-12H,9-10H2,1-2H3/t12-/m0/s1