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

Systemtic Name: 2-[1-(2-methyl-4-nitro-phenyl)pyrrolo[2,3-b]pyridin-3-yl]ethanoic acid Openeye Name: 2-[1-(2-methyl-4-nitro-phenyl)pyrrolo[2,3-b]pyridin-3-yl]acetic acid CAS Name: 2-[1-(2-methyl-4-nitrophenyl)-3-pyrrolo[2,3-b]pyridinyl]acetic acid IUPAC Name: 2-[1-(2-methyl-4-nitrophenyl)pyrrolo[2,3-b]pyridin-3-yl]acetic acid Traditional Name: 2-[1-(2-methyl-4-nitro-phenyl)pyrrolo[2,3-b]pyridin-3-yl]acetic acid Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])N2C=C(C3=C2N=CC=C3)CC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])N2C=C(C3=C2N=CC=C3)CC(=O)O

InChI

InChI=1S/C16H13N3O4/c1-10-7-12(19(22)23)4-5-14(10)18-9-11(8-15(20)21)13-3-2-6-17-16(13)18/h2-7,9H,8H2,1H3,(H,20,21)