[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl] 2-methyl-3-nitro-benzoate

Systemtic Name: [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl] 2-methyl-3-nitro-benzoate Openeye Name: [2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-keto-2-[(2S)-2-methylindolin-1-yl]ethyl] ester Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)COC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)COC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H18N2O5/c1-12-10-14-6-3-4-8-17(14)20(12)18(22)11-26-19(23)15-7-5-9-16(13(15)2)21(24)25/h3-9,12H,10-11H2,1-2H3/t12-/m0/s1