[1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: [1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: [1-methyl-2-(4-morpholinoanilino)-2-oxo-ethyl] 2-(4-chloro-3-nitro-benzoyl)benzoate CAS Name: 2-[(4-chloro-3-nitrophenyl)-oxomethyl]benzoic acid [1-[4-(4-morpholinyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-(4-chloro-3-nitrobenzoyl)benzoate Traditional Name: 2-(4-chloro-3-nitro-benzoyl)benzoic acid [2-keto-1-methyl-2-(4-morpholinoanilino)ethyl] ester Formula: C27H24ClN3O7 MolecularWeight: 537.94836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)OC(=O)C3=CC=CC=C3C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)OC(=O)C3=CC=CC=C3C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C27H24ClN3O7/c1-17(26(33)29-19-7-9-20(10-8-19)30-12-14-37-15-13-30)38-27(34)22-5-3-2-4-21(22)25(32)18-6-11-23(28)24(16-18)31(35)36/h2-11,16-17H,12-15H2,1H3,(H,29,33)