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

Systemtic Name: [2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (2-indolin-1-yl-2-oxo-ethyl) 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (2-indolin-1-yl-2-keto-ethyl) ester Formula: C21H21N3O5 MolecularWeight: 395.40854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5/c25-20(23-12-9-15-5-1-2-6-17(15)23)14-29-21(26)16-7-8-18(19(13-16)24(27)28)22-10-3-4-11-22/h1-2,5-8,13H,3-4,9-12,14H2