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

Systemtic Name: 4-[1-ethyl-3-(4-nitrophenyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid Openeye Name: 4-[1-ethyl-3-(4-nitrophenyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid CAS Name: 4-[1-ethyl-3-(4-nitrophenyl)-4-pyrazolyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid IUPAC Name: 4-[1-ethyl-3-(4-nitrophenyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid Traditional Name: 4-[1-ethyl-3-(4-nitrophenyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid Formula: C19H15N5O4 MolecularWeight: 377.3535

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C3=C4C=C(NC4=NC=C3)C(=O)O

Isomeric SMILES

CCN1C=C(C(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C3=C4C=C(NC4=NC=C3)C(=O)O

InChI

InChI=1S/C19H15N5O4/c1-2-23-10-15(17(22-23)11-3-5-12(6-4-11)24(27)28)13-7-8-20-18-14(13)9-16(21-18)19(25)26/h3-10H,2H2,1H3,(H,20,21)(H,25,26)