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

Systemtic Name: 3-[[2-(3,4-dimethoxyphenyl)-6-methyl-chromen-4-ylidene]amino]-1H-1,2,4-triazole-5-carboxylate Openeye Name: 3-[[2-(3,4-dimethoxyphenyl)-6-methyl-chromen-4-ylidene]amino]-1H-1,2,4-triazole-5-carboxylate CAS Name: 3-[[2-(3,4-dimethoxyphenyl)-6-methyl-1-benzopyran-4-ylidene]amino]-1H-1,2,4-triazole-5-carboxylate IUPAC Name: 3-[[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]amino]-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-[[2-(3,4-dimethoxyphenyl)-6-methyl-chromen-4-ylidene]amino]-1H-1,2,4-triazole-5-carboxylate Formula: C21H17N4O5- MolecularWeight: 405.38348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC2=NC3=NNC(=N3)C(=O)[O-])C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=CC2=NC3=NNC(=N3)C(=O)[O-])C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C21H18N4O5/c1-11-4-6-15-13(8-11)14(22-21-23-19(20(26)27)24-25-21)10-17(30-15)12-5-7-16(28-2)18(9-12)29-3/h4-10H,1-3H3,(H,26,27)(H,23,24,25)/p-1