dimethyl 1-[(3-oxidanylidenebenzo[f]chromen-1-yl)methyl]-1,2,3-triazole-4,5-dicarboxylate

Systemtic Name: dimethyl 1-[(3-oxidanylidenebenzo[f]chromen-1-yl)methyl]-1,2,3-triazole-4,5-dicarboxylate Openeye Name: dimethyl 1-[(3-oxobenzo[f]chromen-1-yl)methyl]triazole-4,5-dicarboxylate CAS Name: 1-[(3-oxo-1-benzo[f][1]benzopyranyl)methyl]triazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[(3-oxobenzo[f]chromen-1-yl)methyl]triazole-4,5-dicarboxylate Traditional Name: 1-[(3-ketobenzo[f]chromen-1-yl)methyl]triazole-4,5-dicarboxylic acid dimethyl ester Formula: C20H15N3O6 MolecularWeight: 393.3496

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=N1)CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N(N=N1)CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)C(=O)OC

InChI

InChI=1S/C20H15N3O6/c1-27-19(25)17-18(20(26)28-2)23(22-21-17)10-12-9-15(24)29-14-8-7-11-5-3-4-6-13(11)16(12)14/h3-9H,10H2,1-2H3