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

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [2-(indan-5-ylamino)-2-oxo-ethyl] 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid [2-(indan-5-ylamino)-2-keto-ethyl] ester Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)NC(=O)COC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC(=O)COC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O6/c26-21(23-18-6-4-15-2-1-3-16(15)12-18)14-31-22(27)17-5-7-19(20(13-17)25(28)29)24-8-10-30-11-9-24/h4-7,12-13H,1-3,8-11,14H2,(H,23,26)