1-chloroethyl 2-[[(2-ethoxy-4-nitro-3-oxidanyl-phenyl)carbonylamino]methyl]morpholine-4-carboxylate

Systemtic Name: 1-chloroethyl 2-[[(2-ethoxy-4-nitro-3-oxidanyl-phenyl)carbonylamino]methyl]morpholine-4-carboxylate Openeye Name: 1-chloroethyl 2-[[(2-ethoxy-3-hydroxy-4-nitro-benzoyl)amino]methyl]morpholine-4-carboxylate CAS Name: 2-[[[(2-ethoxy-3-hydroxy-4-nitrophenyl)-oxomethyl]amino]methyl]-4-morpholinecarboxylic acid 1-chloroethyl ester IUPAC Name: 1-chloroethyl 2-[[(2-ethoxy-3-hydroxy-4-nitrobenzoyl)amino]methyl]morpholine-4-carboxylate Traditional Name: 2-[[(2-ethoxy-3-hydroxy-4-nitro-benzoyl)amino]methyl]morpholine-4-carboxylic acid 1-chloroethyl ester Formula: C17H22ClN3O8 MolecularWeight: 431.82488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1O)[N+](=O)[O-])C(=O)NCC2CN(CCO2)C(=O)OC(C)Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1O)[N+](=O)[O-])C(=O)NCC2CN(CCO2)C(=O)OC(C)Cl

InChI

InChI=1S/C17H22ClN3O8/c1-3-27-15-12(4-5-13(14(15)22)21(25)26)16(23)19-8-11-9-20(6-7-28-11)17(24)29-10(2)18/h4-5,10-11,22H,3,6-9H2,1-2H3,(H,19,23)