3-(3-oxidanylidene-5-phenacyl-[1,2,4]triazino[2,3-a]benzimidazol-2-yl)propanoate

Systemtic Name: 3-(3-oxidanylidene-5-phenacyl-[1,2,4]triazino[2,3-a]benzimidazol-2-yl)propanoate Openeye Name: 3-(3-oxo-5-phenacyl-[1,2,4]triazino[2,3-a]benzimidazol-2-yl)propanoate CAS Name: 3-(3-oxo-5-phenacyl-[1,2,4]triazino[2,3-a]benzimidazol-2-yl)propanoate IUPAC Name: 3-(3-oxo-5-phenacyl-[1,2,4]triazino[2,3-a]benzimidazol-2-yl)propanoate Traditional Name: 3-(3-keto-5-phenacyl-[1,2,4]triazino[2,3-a]benzimidazol-2-yl)propionate Formula: C20H15N4O4- MolecularWeight: 375.3575

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N4C2=NC(=O)C(=N4)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N4C2=NC(=O)C(=N4)CCC(=O)[O-]

InChI

InChI=1S/C20H16N4O4/c25-17(13-6-2-1-3-7-13)12-23-15-8-4-5-9-16(15)24-20(23)21-19(28)14(22-24)10-11-18(26)27/h1-9H,10-12H2,(H,26,27)/p-1