[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxidanylidene-propan-2-yl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxidanylidene-propan-2-yl] 4-azanyl-3-nitro-benzoate Openeye Name: [(1S)-1-methyl-2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [(1S)-2-keto-1-methyl-2-[(2S)-2-methylindolin-1-yl]ethyl] ester Formula: C19H19N3O5 MolecularWeight: 369.37126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O5/c1-11-9-13-5-3-4-6-16(13)21(11)18(23)12(2)27-19(24)14-7-8-15(20)17(10-14)22(25)26/h3-8,10-12H,9,20H2,1-2H3/t11-,12-/m0/s1