3-[[2-(4-methoxyphenyl)-6-oxidanyl-chromen-4-ylidene]amino]-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: 3-[[2-(4-methoxyphenyl)-6-oxidanyl-chromen-4-ylidene]amino]-1H-1,2,4-triazole-5-carboxylate Openeye Name: 3-[[6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]amino]-1H-1,2,4-triazole-5-carboxylate CAS Name: 3-[[6-hydroxy-2-(4-methoxyphenyl)-1-benzopyran-4-ylidene]amino]-1H-1,2,4-triazole-5-carboxylate IUPAC Name: 3-[[6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]amino]-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-[[6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]amino]-1H-1,2,4-triazole-5-carboxylate Formula: C19H13N4O5- MolecularWeight: 377.33032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC3=NNC(=N3)C(=O)[O-])C4=C(O2)C=CC(=C4)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC3=NNC(=N3)C(=O)[O-])C4=C(O2)C=CC(=C4)O

InChI

InChI=1S/C19H14N4O5/c1-27-12-5-2-10(3-6-12)16-9-14(13-8-11(24)4-7-15(13)28-16)20-19-21-17(18(25)26)22-23-19/h2-9,24H,1H3,(H,25,26)(H,21,22,23)/p-1