ethyl 2-[5-(3-chloranylquinoxalin-2-yl)-3-oxidanylidene-1H-1,2,4-triazol-2-yl]benzoate

Systemtic Name: ethyl 2-[5-(3-chloranylquinoxalin-2-yl)-3-oxidanylidene-1H-1,2,4-triazol-2-yl]benzoate Openeye Name: ethyl 2-[5-(3-chloroquinoxalin-2-yl)-3-oxo-1H-1,2,4-triazol-2-yl]benzoate CAS Name: 2-[5-(3-chloro-2-quinoxalinyl)-3-oxo-1H-1,2,4-triazol-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[5-(3-chloroquinoxalin-2-yl)-3-oxo-1H-1,2,4-triazol-2-yl]benzoate Traditional Name: 2-[5-(3-chloroquinoxalin-2-yl)-3-keto-1H-1,2,4-triazol-2-yl]benzoic acid ethyl ester Formula: C19H14ClN5O3 MolecularWeight: 395.79916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1N2C(=O)N=C(N2)C3=NC4=CC=CC=C4N=C3Cl

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1N2C(=O)N=C(N2)C3=NC4=CC=CC=C4N=C3Cl

InChI

InChI=1S/C19H14ClN5O3/c1-2-28-18(26)11-7-3-6-10-14(11)25-19(27)23-17(24-25)15-16(20)22-13-9-5-4-8-12(13)21-15/h3-10H,2H2,1H3,(H,23,24,27)