[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [2-(chroman-4-ylamino)-2-oxo-ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-(3,4-dihydro-2H-1-benzopyran-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-(chroman-4-ylamino)-2-keto-ethyl] ester Formula: C20H18N4O4 MolecularWeight: 378.38132

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C1NC(=O)COC(=O)C3=CC=C(C=C3)N4C=NC=N4

Isomeric SMILES

C1COC2=CC=CC=C2C1NC(=O)COC(=O)C3=CC=C(C=C3)N4C=NC=N4

InChI

InChI=1S/C20H18N4O4/c25-19(23-17-9-10-27-18-4-2-1-3-16(17)18)11-28-20(26)14-5-7-15(8-6-14)24-13-21-12-22-24/h1-8,12-13,17H,9-11H2,(H,23,25)