4-[3-(3-nitrophenyl)carbonylpyrrolo[2,3-b]pyridin-1-yl]butanoic acid

Systemtic Name: 4-[3-(3-nitrophenyl)carbonylpyrrolo[2,3-b]pyridin-1-yl]butanoic acid Openeye Name: 4-[3-(3-nitrobenzoyl)pyrrolo[2,3-b]pyridin-1-yl]butanoic acid CAS Name: 4-[3-[(3-nitrophenyl)-oxomethyl]-1-pyrrolo[2,3-b]pyridinyl]butanoic acid IUPAC Name: 4-[3-(3-nitrobenzoyl)pyrrolo[2,3-b]pyridin-1-yl]butanoic acid Traditional Name: 4-[3-(3-nitrobenzoyl)pyrrolo[2,3-b]pyridin-1-yl]butyric acid Formula: C18H15N3O5 MolecularWeight: 353.3288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C2=CN(C3=C2C=CC=N3)CCCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C2=CN(C3=C2C=CC=N3)CCCC(=O)O

InChI

InChI=1S/C18H15N3O5/c22-16(23)7-3-9-20-11-15(14-6-2-8-19-18(14)20)17(24)12-4-1-5-13(10-12)21(25)26/h1-2,4-6,8,10-11H,3,7,9H2,(H,22,23)