(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C25H26N2O7 MolecularWeight: 466.48314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O7/c1-15(2)19-13-20-18(12-24(28)34-23(20)10-16(19)3)14-33-25(29)17-4-5-21(22(11-17)27(30)31)26-6-8-32-9-7-26/h4-5,10-13,15H,6-9,14H2,1-3H3