[7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl 4-ethoxy-3-nitro-benzoate

Systemtic Name: [7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl 4-ethoxy-3-nitro-benzoate Openeye Name: [7-(ethoxycarbonylamino)-2-oxo-chromen-4-yl]methyl 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [7-(ethoxycarbonylamino)-2-oxo-1-benzopyran-4-yl]methyl ester IUPAC Name: [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [7-(carbethoxyamino)-2-keto-chromen-4-yl]methyl ester Formula: C22H20N2O9 MolecularWeight: 456.4022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)NC(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)NC(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O9/c1-3-30-18-8-5-13(9-17(18)24(28)29)21(26)32-12-14-10-20(25)33-19-11-15(6-7-16(14)19)23-22(27)31-4-2/h5-11H,3-4,12H2,1-2H3,(H,23,27)