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

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C21H19NO9 MolecularWeight: 429.37686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3C)O)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3C)O)[N+](=O)[O-])OC

InChI

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