3-azanyl-7-nitro-isoquinoline-4-carboxylic acid

Systemtic Name: 3-azanyl-7-nitro-isoquinoline-4-carboxylic acid Openeye Name: 3-amino-7-nitro-isoquinoline-4-carboxylic acid CAS Name: 3-amino-7-nitro-4-isoquinolinecarboxylic acid IUPAC Name: 3-amino-7-nitroisoquinoline-4-carboxylic acid Traditional Name: 3-amino-7-nitro-isoquinoline-4-carboxylic acid Formula: C10H7N3O4 MolecularWeight: 233.18028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H7N3O4/c11-9-8(10(14)15)7-2-1-6(13(16)17)3-5(7)4-12-9/h1-4H,(H2,11,12)(H,14,15)