2-[2-methyl-1-(4-nitrophenyl)sulfonyl-pyrrolo[2,3-b]pyridin-3-yl]ethanoic acid

Systemtic Name: 2-[2-methyl-1-(4-nitrophenyl)sulfonyl-pyrrolo[2,3-b]pyridin-3-yl]ethanoic acid Openeye Name: 2-[2-methyl-1-(4-nitrophenyl)sulfonyl-pyrrolo[2,3-b]pyridin-3-yl]acetic acid CAS Name: 2-[2-methyl-1-(4-nitrophenyl)sulfonyl-3-pyrrolo[2,3-b]pyridinyl]acetic acid IUPAC Name: 2-[2-methyl-1-(4-nitrophenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]acetic acid Traditional Name: 2-(2-methyl-1-nosyl-pyrrolo[2,3-b]pyridin-3-yl)acetic acid Formula: C16H13N3O6S MolecularWeight: 375.35592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])N=CC=C2)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])N=CC=C2)CC(=O)O

InChI

InChI=1S/C16H13N3O6S/c1-10-14(9-15(20)21)13-3-2-8-17-16(13)18(10)26(24,25)12-6-4-11(5-7-12)19(22)23/h2-8H,9H2,1H3,(H,20,21)