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

Systemtic Name: [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: [2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-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] 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid [2-keto-2-[(2S)-2-methylindolin-1-yl]ethyl] ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6/c1-14-11-15-5-3-4-6-18(15)23(14)20(25)13-30-21(26)16-7-8-17(22-9-10-29-2)19(12-16)24(27)28/h3-8,12,14,22H,9-11,13H2,1-2H3/t14-/m0/s1