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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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