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

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C22H21NO8 MolecularWeight: 427.40404

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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-])OC)OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO8/c1-4-13-6-7-15-14(9-21(24)31-18(15)8-13)12-30-22(25)16-10-20(29-5-2)19(28-3)11-17(16)23(26)27/h6-11H,4-5,12H2,1-3H3