(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C20H18N2O8 MolecularWeight: 414.36552

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O

InChI

InChI=1S/C20H18N2O8/c1-28-7-6-21-17-5-2-13(22(26)27)9-16(17)20(25)29-11-12-8-19(24)30-18-10-14(23)3-4-15(12)18/h2-5,8-10,21,23H,6-7,11H2,1H3