[2-[(5-chloranyl-2-phenoxy-phenyl)amino]-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: [2-[(5-chloranyl-2-phenoxy-phenyl)amino]-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: [2-(5-chloro-2-phenoxy-anilino)-2-oxo-ethyl] 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid [2-(5-chloro-2-phenoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-phenoxyanilino)-2-oxoethyl] 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid [2-(5-chloro-2-phenoxy-anilino)-2-keto-ethyl] ester Formula: C25H22ClN3O7 MolecularWeight: 511.91108

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)OC4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)OC4=CC=CC=C4

InChI

InChI=1S/C25H22ClN3O7/c26-17-6-9-23(36-19-4-2-1-3-5-19)21(14-17)27-24(30)16-35-25(31)20-15-18(29(32)33)7-8-22(20)28-10-12-34-13-11-28/h1-9,14-15H,10-13,16H2,(H,27,30)