[2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (2-indan-5-yl-2-oxo-ethyl) 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (2-indan-5-yl-2-keto-ethyl) ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC4=C(CCC4)C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC4=C(CCC4)C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O5/c25-21(17-7-6-15-4-3-5-16(15)12-17)14-29-22(26)18-8-9-19(20(13-18)24(27)28)23-10-1-2-11-23/h6-9,12-13H,1-5,10-11,14H2