(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C21H19NO8 MolecularWeight: 413.37746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)C

InChI

InChI=1S/C21H19NO8/c1-11-5-6-14-13(7-19(23)30-20(14)12(11)2)10-29-21(24)15-8-17(27-3)18(28-4)9-16(15)22(25)26/h5-9H,10H2,1-4H3