4-azanyl-6-nitro-1-benzofuran-2-carboxylic acid

Systemtic Name: 4-azanyl-6-nitro-1-benzofuran-2-carboxylic acid Openeye Name: 4-amino-6-nitro-benzofuran-2-carboxylic acid CAS Name: 4-amino-6-nitro-2-benzofurancarboxylic acid IUPAC Name: 4-amino-6-nitro-1-benzofuran-2-carboxylic acid Traditional Name: 4-amino-6-nitro-coumarilic acid Formula: C9H6N2O5 MolecularWeight: 222.15434

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=C1OC(=C2)C(=O)O)N)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C2=C1OC(=C2)C(=O)O)N)[N+](=O)[O-]

InChI

InChI=1S/C9H6N2O5/c10-6-1-4(11(14)15)2-7-5(6)3-8(16-7)9(12)13/h1-3H,10H2,(H,12,13)