ethyl 5-[(4-chloranyl-3-nitro-phenyl)-(5-ethoxycarbonyl-6-morpholin-4-yl-2-oxidanyl-4-oxidanylidene-1H-pyridin-3-yl)methyl]-2-morpholin-4-yl-6-oxidanyl-4-oxidanylidene-1H-pyridine-3-carboxylate

Systemtic Name: ethyl 5-[(4-chloranyl-3-nitro-phenyl)-(5-ethoxycarbonyl-6-morpholin-4-yl-2-oxidanyl-4-oxidanylidene-1H-pyridin-3-yl)methyl]-2-morpholin-4-yl-6-oxidanyl-4-oxidanylidene-1H-pyridine-3-carboxylate Openeye Name: ethyl 5-[(4-chloro-3-nitro-phenyl)-(5-ethoxycarbonyl-2-hydroxy-6-morpholino-4-oxo-1H-pyridin-3-yl)methyl]-6-hydroxy-2-morpholino-4-oxo-1H-pyridine-3-carboxylate CAS Name: 5-[(4-chloro-3-nitrophenyl)-[5-ethoxycarbonyl-2-hydroxy-6-(4-morpholinyl)-4-oxo-1H-pyridin-3-yl]methyl]-6-hydroxy-2-(4-morpholinyl)-4-oxo-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-chloro-3-nitrophenyl)-(5-ethoxycarbonyl-2-hydroxy-6-morpholin-4-yl-4-oxo-1H-pyridin-3-yl)methyl]-6-hydroxy-2-morpholin-4-yl-4-oxo-1H-pyridine-3-carboxylate Traditional Name: 5-[(5-carbethoxy-2-hydroxy-4-keto-6-morpholino-1H-pyridin-3-yl)-(4-chloro-3-nitro-phenyl)methyl]-6-hydroxy-4-keto-2-morpholino-1H-pyridine-3-carboxylic acid ethyl ester Formula: C31H34ClN5O12 MolecularWeight: 704.08096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1=O)C(C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=C(NC(=C(C3=O)C(=O)OCC)N4CCOCC4)O)O)N5CCOCC5

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1=O)C(C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=C(NC(=C(C3=O)C(=O)OCC)N4CCOCC4)O)O)N5CCOCC5

InChI

InChI=1S/C31H34ClN5O12/c1-3-48-30(42)22-24(38)20(28(40)33-26(22)35-7-11-46-12-8-35)19(16-5-6-17(32)18(15-16)37(44)45)21-25(39)23(31(43)49-4-2)27(34-29(21)41)36-9-13-47-14-10-36/h5-6,15,19H,3-4,7-14H2,1-2H3,(H2,33,38,40)(H2,34,39,41)