(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 3-(4-nitro-1,3-dioxo-2-isoindolyl)propanoic 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 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)propionic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C25H22N2O8 MolecularWeight: 478.45078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C25H22N2O8/c1-13(2)17-11-18-15(10-22(29)35-20(18)9-14(17)3)12-34-21(28)7-8-26-24(30)16-5-4-6-19(27(32)33)23(16)25(26)31/h4-6,9-11,13H,7-8,12H2,1-3H3