[1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)cyclopentane-1-carboxylate

Systemtic Name: [1-[(2-chloranyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)cyclopentane-1-carboxylate Openeye Name: [2-(2-chloro-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 1-(2-morpholino-2-oxo-ethyl)cyclopentanecarboxylate CAS Name: 1-[2-(4-morpholinyl)-2-oxoethyl]-1-cyclopentanecarboxylic acid [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate Traditional Name: 1-(2-keto-2-morpholino-ethyl)cyclopentanecarboxylic acid [2-(2-chloro-5-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H26ClN3O7 MolecularWeight: 467.90004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)OC(=O)C2(CCCC2)CC(=O)N3CCOCC3

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)OC(=O)C2(CCCC2)CC(=O)N3CCOCC3

InChI

InChI=1S/C21H26ClN3O7/c1-14(19(27)23-17-12-15(25(29)30)4-5-16(17)22)32-20(28)21(6-2-3-7-21)13-18(26)24-8-10-31-11-9-24/h4-5,12,14H,2-3,6-11,13H2,1H3,(H,23,27)