[2-[methyl-(2-morpholin-4-yl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [2-[methyl-(2-morpholin-4-yl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-nitro-benzoate Openeye Name: [2-[methyl-(2-morpholino-2-oxo-ethyl)amino]-2-oxo-ethyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [2-[methyl-[2-(4-morpholinyl)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxoethyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [2-keto-2-[(2-keto-2-morpholino-ethyl)-methyl-amino]ethyl] ester Formula: C16H18ClN3O7 MolecularWeight: 399.78302

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CCOCC1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CN(CC(=O)N1CCOCC1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H18ClN3O7/c1-18(9-14(21)19-4-6-26-7-5-19)15(22)10-27-16(23)11-2-3-12(17)13(8-11)20(24)25/h2-3,8H,4-7,9-10H2,1H3