2-methanoyl-4-oxidanylidene-3-(phenylmethyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid

Systemtic Name: 2-methanoyl-4-oxidanylidene-3-(phenylmethyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid Openeye Name: 3-benzyl-2-formyl-4-oxo-pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid CAS Name: 2-formyl-4-oxo-3-(phenylmethyl)-5-pyrrolo[2,1-f][1,2,4]triazinecarboxylic acid IUPAC Name: 3-benzyl-2-formyl-4-oxopyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid Traditional Name: 3-benzyl-2-formyl-4-keto-pyrrolo[2,1-f][1,2,4]triazine-5-carboxylic acid Formula: C15H11N3O4 MolecularWeight: 297.26554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN3C=CC(=C3C2=O)C(=O)O)C=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN3C=CC(=C3C2=O)C(=O)O)C=O

InChI

InChI=1S/C15H11N3O4/c19-9-12-16-18-7-6-11(15(21)22)13(18)14(20)17(12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,21,22)