[1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 5-morpholin-4-yl-2-nitro-benzoate

Systemtic Name: [1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 5-morpholin-4-yl-2-nitro-benzoate Openeye Name: [2-(cyclopentylamino)-1-methyl-2-oxo-ethyl] 5-morpholino-2-nitro-benzoate CAS Name: 5-(4-morpholinyl)-2-nitrobenzoic acid [1-(cyclopentylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopentylamino)-1-oxopropan-2-yl] 5-morpholin-4-yl-2-nitrobenzoate Traditional Name: 5-morpholino-2-nitro-benzoic acid [2-(cyclopentylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H25N3O6 MolecularWeight: 391.4183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)OC(=O)C2=C(C=CC(=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1CCCC1)OC(=O)C2=C(C=CC(=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H25N3O6/c1-13(18(23)20-14-4-2-3-5-14)28-19(24)16-12-15(6-7-17(16)22(25)26)21-8-10-27-11-9-21/h6-7,12-14H,2-5,8-11H2,1H3,(H,20,23)