8-chloranyl-9-nitro-5-oxidanylidene-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid

Systemtic Name: 8-chloranyl-9-nitro-5-oxidanylidene-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid Openeye Name: 8-chloro-9-nitro-5-oxo-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid CAS Name: 8-chloro-9-nitro-5-oxo-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid IUPAC Name: 8-chloro-9-nitro-5-oxo-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid Traditional Name: 8-chloro-5-keto-9-nitro-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid Formula: C12H5ClN4O7 MolecularWeight: 352.6437

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC2=NC(=O)N3C(=C21)C(=C(N3)C(=O)O)C(=O)O)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=C(C(=CC2=NC(=O)N3C(=C21)C(=C(N3)C(=O)O)C(=O)O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H5ClN4O7/c13-4-2-5-3(1-6(4)17(23)24)9-7(10(18)19)8(11(20)21)15-16(9)12(22)14-5/h1-2,15H,(H,18,19)(H,20,21)