(E)-4-nitro-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pent-4-enoic acid

Systemtic Name: (E)-4-nitro-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pent-4-enoic acid Openeye Name: (E)-4-nitro-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pent-4-enoic acid CAS Name: (E)-4-nitro-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-4-pentenoic acid IUPAC Name: (E)-4-nitro-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pent-4-enoic acid Traditional Name: (E)-4-nitro-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pent-4-enoic acid Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(NC=C2C=C(CCC(=O)O)[N+](=O)[O-])N=C1

Isomeric SMILES

C1=CC2=C(NC=C2/C=C(\CCC(=O)O)/[N+](=O)[O-])N=C1

InChI

InChI=1S/C12H11N3O4/c16-11(17)4-3-9(15(18)19)6-8-7-14-12-10(8)2-1-5-13-12/h1-2,5-7H,3-4H2,(H,13,14)(H,16,17)/b9-6+