(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H19ClN2O7 MolecularWeight: 458.84846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)Cl

InChI

InChI=1S/C22H19ClN2O7/c1-13-8-20-16(11-18(13)23)14(9-21(26)32-20)12-31-22(27)17-10-15(25(28)29)2-3-19(17)24-4-6-30-7-5-24/h2-3,8-11H,4-7,12H2,1H3