[6-chloranyl-2-(4-methoxyphenyl)-7-methyl-4-oxidanylidene-chromen-3-yl] 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: [6-chloranyl-2-(4-methoxyphenyl)-7-methyl-4-oxidanylidene-chromen-3-yl] 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [6-chloro-2-(4-methoxyphenyl)-7-methyl-4-oxo-chromen-3-yl] 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [6-chloro-2-(4-methoxyphenyl)-7-methyl-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [6-chloro-2-(4-methoxyphenyl)-7-methyl-4-oxochromen-3-yl] 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid [6-chloro-4-keto-2-(4-methoxyphenyl)-7-methyl-chromen-3-yl] ester Formula: C28H23ClN2O8 MolecularWeight: 550.94382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC(=C(C2=O)OC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])C5=CC=C(C=C5)OC)Cl

Isomeric SMILES

CC1=C(C=C2C(=C1)OC(=C(C2=O)OC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])C5=CC=C(C=C5)OC)Cl

InChI

InChI=1S/C28H23ClN2O8/c1-16-13-24-20(15-21(16)29)25(32)27(26(38-24)17-3-6-19(36-2)7-4-17)39-28(33)18-5-8-22(23(14-18)31(34)35)30-9-11-37-12-10-30/h3-8,13-15H,9-12H2,1-2H3