(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-ethoxy-3-nitro-benzoate

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-ethoxy-3-nitro-benzoate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-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 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C20H17NO8 MolecularWeight: 399.35088

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C20H17NO8/c1-3-27-17-7-4-12(8-15(17)21(25)26)20(24)28-10-13-9-18(23)29-19-11(2)16(22)6-5-14(13)19/h4-9,22H,3,10H2,1-2H3