(2E)-2-[[5-(1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]methylidene]butanoate

Systemtic Name: (2E)-2-[[5-(1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]methylidene]butanoate Openeye Name: (2E)-2-[[5-(1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]methylene]butanoate CAS Name: (2E)-2-[[5-(1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]methylidene]butanoate IUPAC Name: (2E)-2-[[5-(1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]methylidene]butanoate Traditional Name: (E)-2-ethyl-3-[5-(1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]acrylate Formula: C14H12N5O2- MolecularWeight: 282.27738

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=CNC2=CN=C(C=C12)N3C=NC=N3)C(=O)[O-]

Isomeric SMILES

CC/C(=C\C1=CNC2=CN=C(C=C12)N3C=NC=N3)/C(=O)[O-]

InChI

InChI=1S/C14H13N5O2/c1-2-9(14(20)21)3-10-5-16-12-6-17-13(4-11(10)12)19-8-15-7-18-19/h3-8,16H,2H2,1H3,(H,20,21)/p-1/b9-3+