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

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: (7-methoxy-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-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-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-7-methoxy-chromen-4-yl)methyl ester Formula: C20H15N3O5 MolecularWeight: 377.3502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)N4C=NC=N4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)N4C=NC=N4

InChI

InChI=1S/C20H15N3O5/c1-26-16-6-7-17-14(8-19(24)28-18(17)9-16)10-27-20(25)13-2-4-15(5-3-13)23-12-21-11-22-23/h2-9,11-12H,10H2,1H3