5-[[3,4-bis(oxidanyl)phenyl]methyl]-3-ethanoyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one

Systemtic Name: 5-[[3,4-bis(oxidanyl)phenyl]methyl]-3-ethanoyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one Openeye Name: 3-acetyl-5-[(3,4-dihydroxyphenyl)methyl]-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one CAS Name: 3-acetyl-5-[(3,4-dihydroxyphenyl)methyl]-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one IUPAC Name: 3-acetyl-5-[(3,4-dihydroxyphenyl)methyl]-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one Traditional Name: 3-acetyl-1-phenyl-5-protocatechuyl-2,5-dihydro-1,2,4-triazin-6-one Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NC(C(=O)N(N1)C2=CC=CC=C2)CC3=CC(=C(C=C3)O)O

Isomeric SMILES

CC(=O)C1=NC(C(=O)N(N1)C2=CC=CC=C2)CC3=CC(=C(C=C3)O)O

InChI

InChI=1S/C18H17N3O4/c1-11(22)17-19-14(9-12-7-8-15(23)16(24)10-12)18(25)21(20-17)13-5-3-2-4-6-13/h2-8,10,14,23-24H,9H2,1H3,(H,19,20)