3-azanyl-5-nitro-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-azanyl-5-nitro-1-benzothiophene-2-carboxylic acid Openeye Name: 3-amino-5-nitro-benzothiophene-2-carboxylic acid CAS Name: 3-amino-5-nitro-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-amino-5-nitro-1-benzothiophene-2-carboxylic acid Traditional Name: 3-amino-5-nitro-benzothiophene-2-carboxylic acid Formula: C9H6N2O4S MolecularWeight: 238.21994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=C(S2)C(=O)O)N

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=C(S2)C(=O)O)N

InChI

InChI=1S/C9H6N2O4S/c10-7-5-3-4(11(14)15)1-2-6(5)16-8(7)9(12)13/h1-3H,10H2,(H,12,13)