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

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: (2-indan-5-yl-2-oxo-ethyl) 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (2-indan-5-yl-2-keto-ethyl) ester Formula: C19H18N2O5 MolecularWeight: 354.35662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC3=C(CCC3)C=C2)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC3=C(CCC3)C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O5/c1-20-16-8-7-15(10-17(16)21(24)25)19(23)26-11-18(22)14-6-5-12-3-2-4-13(12)9-14/h5-10,20H,2-4,11H2,1H3