(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C21H19NO9 MolecularWeight: 429.37686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)OC)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)OC)[N+](=O)[O-])OC

InChI

InChI=1S/C21H19NO9/c1-4-29-19-9-15(16(22(25)26)10-18(19)28-3)21(24)30-11-12-7-20(23)31-17-8-13(27-2)5-6-14(12)17/h5-10H,4,11H2,1-3H3