2-azanylquinoline-3-carboxylic acid; 2,4,6-trinitrophenol

Systemtic Name: 2-azanylquinoline-3-carboxylic acid; 2,4,6-trinitrophenol Openeye Name: 2-aminoquinoline-3-carboxylic acid; picric acid CAS Name: 2-amino-3-quinolinecarboxylic acid; 2,4,6-trinitrophenol IUPAC Name: 2-aminoquinoline-3-carboxylic acid; 2,4,6-trinitrophenol Traditional Name: 2-aminoquinoline-3-carboxylic acid; picric acid Formula: C16H11N5O9 MolecularWeight: 417.28664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=N2)N)C(=O)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=N2)N)C(=O)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H8N2O2.C6H3N3O7/c11-9-7(10(13)14)5-6-3-1-2-4-8(6)12-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-5H,(H2,11,12)(H,13,14);1-2,10H