(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-methyl-4-nitro-benzoate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-methyl-4-nitro-benzoate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C20H17NO6 MolecularWeight: 367.35208

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H17NO6/c1-3-13-4-6-16-15(10-19(22)27-18(16)9-13)11-26-20(23)14-5-7-17(21(24)25)12(2)8-14/h4-10H,3,11H2,1-2H3