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

Systemtic Name: [1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl] 5-morpholin-4-yl-2-nitro-benzoate Openeye Name: [2-(indan-5-ylamino)-1-methyl-2-oxo-ethyl] 5-morpholino-2-nitro-benzoate CAS Name: 5-(4-morpholinyl)-2-nitrobenzoic acid [1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 5-morpholin-4-yl-2-nitrobenzoate Traditional Name: 5-morpholino-2-nitro-benzoic acid [2-(indan-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H25N3O6 MolecularWeight: 439.4611

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)C3=C(C=CC(=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)C3=C(C=CC(=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O6/c1-15(22(27)24-18-6-5-16-3-2-4-17(16)13-18)32-23(28)20-14-19(7-8-21(20)26(29)30)25-9-11-31-12-10-25/h5-8,13-15H,2-4,9-12H2,1H3,(H,24,27)