5-chloranyl-4-oxidanylidene-3-(phenylmethyl)pyrrolo[2,1-f][1,2,4]triazine-2-carbaldehyde

Systemtic Name: 5-chloranyl-4-oxidanylidene-3-(phenylmethyl)pyrrolo[2,1-f][1,2,4]triazine-2-carbaldehyde Openeye Name: 3-benzyl-5-chloro-4-oxo-pyrrolo[2,1-f][1,2,4]triazine-2-carbaldehyde CAS Name: 5-chloro-4-oxo-3-(phenylmethyl)-2-pyrrolo[2,1-f][1,2,4]triazinecarboxaldehyde IUPAC Name: 3-benzyl-5-chloro-4-oxopyrrolo[2,1-f][1,2,4]triazine-2-carbaldehyde Traditional Name: 3-benzyl-5-chloro-4-keto-pyrrolo[2,1-f][1,2,4]triazine-2-carbaldehyde Formula: C14H10ClN3O2 MolecularWeight: 287.7011

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10ClN3O2/c15-11-6-7-18-13(11)14(20)17(12(9-19)16-18)8-10-4-2-1-3-5-10/h1-7,9H,8H2