[7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl 1-ethylbenzotriazole-5-carboxylate Openeye Name: [7-(ethoxycarbonylamino)-2-oxo-chromen-4-yl]methyl 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [7-(ethoxycarbonylamino)-2-oxo-1-benzopyran-4-yl]methyl ester IUPAC Name: [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [7-(carbethoxyamino)-2-keto-chromen-4-yl]methyl ester Formula: C22H20N4O6 MolecularWeight: 436.4174

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)NC(=O)OCC)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)NC(=O)OCC)N=N1

InChI

InChI=1S/C22H20N4O6/c1-3-26-18-8-5-13(9-17(18)24-25-26)21(28)31-12-14-10-20(27)32-19-11-15(6-7-16(14)19)23-22(29)30-4-2/h5-11H,3-4,12H2,1-2H3,(H,23,29)