N,N-diethylethanamine; 2-nitro-3-phenyl-1-benzofuran-7-carboxylate; hydrochloride

Systemtic Name: N,N-diethylethanamine; 2-nitro-3-phenyl-1-benzofuran-7-carboxylate; hydrochloride Openeye Name: N,N-diethylethanamine; 2-nitro-3-phenyl-benzofuran-7-carboxylate; hydrochloride CAS Name: N,N-diethylethanamine; 2-nitro-3-phenyl-7-benzofurancarboxylate; hydrochloride IUPAC Name: N,N-diethylethanamine; 2-nitro-3-phenyl-1-benzofuran-7-carboxylate; hydrochloride Traditional Name: 2-nitro-3-phenyl-benzofuran-7-carboxylate; triethylamine; hydrochloride Formula: C21H24ClN2O5- MolecularWeight: 419.87866

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.C1=CC=C(C=C1)C2=C(OC3=C2C=CC=C3C(=O)[O-])[N+](=O)[O-].Cl

Isomeric SMILES

CCN(CC)CC.C1=CC=C(C=C1)C2=C(OC3=C2C=CC=C3C(=O)[O-])[N+](=O)[O-].Cl

InChI

InChI=1S/C15H9NO5.C6H15N.ClH/c17-15(18)11-8-4-7-10-12(9-5-2-1-3-6-9)14(16(19)20)21-13(10)11;1-4-7(5-2)6-3;/h1-8H,(H,17,18);4-6H2,1-3H3;1H/p-1