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

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: (4-methyl-2-oxo-chromen-7-yl) 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxochromen-7-yl) 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid (2-keto-4-methyl-chromen-7-yl) ester Formula: C20H17NO8 MolecularWeight: 399.35088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C)OC

InChI

InChI=1S/C20H17NO8/c1-4-27-18-10-15(21(24)25)14(9-17(18)26-3)20(23)28-12-5-6-13-11(2)7-19(22)29-16(13)8-12/h5-10H,4H2,1-3H3