4-[1-[(2-nitrophenyl)methyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine

Systemtic Name: 4-[1-[(2-nitrophenyl)methyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine Openeye Name: 4-[1-[(2-nitrophenyl)methyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine CAS Name: 4-[1-[(2-nitrophenyl)methyl]-4-pyrazolyl]-1H-pyrrolo[2,3-b]pyridine IUPAC Name: 4-[1-[(2-nitrophenyl)methyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine Traditional Name: 4-[1-(2-nitrobenzyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine Formula: C17H13N5O2 MolecularWeight: 319.31742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=C(C=N2)C3=C4C=CNC4=NC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=C(C=N2)C3=C4C=CNC4=NC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N5O2/c23-22(24)16-4-2-1-3-12(16)10-21-11-13(9-20-21)14-5-7-18-17-15(14)6-8-19-17/h1-9,11H,10H2,(H,18,19)