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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)N4C=NC=N4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)N4C=NC=N4

InChI

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