N,N-diethylethanamine; 2-(5-nitroindazol-1-yl)carbonylbenzenesulfonic acid

Systemtic Name: N,N-diethylethanamine; 2-(5-nitroindazol-1-yl)carbonylbenzenesulfonic acid Openeye Name: N,N-diethylethanamine; 2-(5-nitroindazole-1-carbonyl)benzenesulfonic acid CAS Name: N,N-diethylethanamine; 2-[(5-nitro-1-indazolyl)-oxomethyl]benzenesulfonic acid IUPAC Name: N,N-diethylethanamine; 2-(5-nitroindazole-1-carbonyl)benzenesulfonic acid Traditional Name: 2-(5-nitroindazole-1-carbonyl)besylic acid; triethylamine Formula: C20H24N4O6S MolecularWeight: 448.49276

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.C1=CC=C(C(=C1)C(=O)N2C3=C(C=C(C=C3)[N+](=O)[O-])C=N2)S(=O)(=O)O

Isomeric SMILES

CCN(CC)CC.C1=CC=C(C(=C1)C(=O)N2C3=C(C=C(C=C3)[N+](=O)[O-])C=N2)S(=O)(=O)O

InChI

InChI=1S/C14H9N3O6S.C6H15N/c18-14(11-3-1-2-4-13(11)24(21,22)23)16-12-6-5-10(17(19)20)7-9(12)8-15-16;1-4-7(5-2)6-3/h1-8H,(H,21,22,23);4-6H2,1-3H3