(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C20H14ClN3O4 MolecularWeight: 395.79586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=C(C=C3)N4C=NC=N4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=C(C=C3)N4C=NC=N4)Cl

InChI

InChI=1S/C20H14ClN3O4/c1-12-6-18-16(8-17(12)21)14(7-19(25)28-18)9-27-20(26)13-2-4-15(5-3-13)24-11-22-10-23-24/h2-8,10-11H,9H2,1H3