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

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: (6,7-dimethyl-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 (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C21H17N3O4 MolecularWeight: 375.37738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)N4C=NC=N4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)N4C=NC=N4)C

InChI

InChI=1S/C21H17N3O4/c1-13-7-18-16(9-20(25)28-19(18)8-14(13)2)10-27-21(26)15-3-5-17(6-4-15)24-12-22-11-23-24/h3-9,11-12H,10H2,1-2H3