1-(4-nitroimidazol-1-yl)isoquinoline-3-carboxylic acid

Systemtic Name: 1-(4-nitroimidazol-1-yl)isoquinoline-3-carboxylic acid Openeye Name: 1-(4-nitroimidazol-1-yl)isoquinoline-3-carboxylic acid CAS Name: 1-(4-nitro-1-imidazolyl)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(4-nitroimidazol-1-yl)isoquinoline-3-carboxylic acid Traditional Name: 1-(4-nitroimidazol-1-yl)isoquinoline-3-carboxylic acid Formula: C13H8N4O4 MolecularWeight: 284.22702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N=C2N3C=C(N=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N=C2N3C=C(N=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H8N4O4/c18-13(19)10-5-8-3-1-2-4-9(8)12(15-10)16-6-11(14-7-16)17(20)21/h1-7H,(H,18,19)