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

Systemtic Name: 3-[[2-(4-chlorophenyl)-6-methyl-chromen-4-ylidene]amino]-1H-1,2,4-triazole-5-carboxylate Openeye Name: 3-[[2-(4-chlorophenyl)-6-methyl-chromen-4-ylidene]amino]-1H-1,2,4-triazole-5-carboxylate CAS Name: 3-[[2-(4-chlorophenyl)-6-methyl-1-benzopyran-4-ylidene]amino]-1H-1,2,4-triazole-5-carboxylate IUPAC Name: 3-[[2-(4-chlorophenyl)-6-methylchromen-4-ylidene]amino]-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-[[2-(4-chlorophenyl)-6-methyl-chromen-4-ylidene]amino]-1H-1,2,4-triazole-5-carboxylate Formula: C19H12ClN4O3- MolecularWeight: 379.77658

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H13ClN4O3/c1-10-2-7-15-13(8-10)14(21-19-22-17(18(25)26)23-24-19)9-16(27-15)11-3-5-12(20)6-4-11/h2-9H,1H3,(H,25,26)(H,22,23,24)/p-1