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

Systemtic Name: N,N-diethylethanamine; 2-nitro-3-phenyl-1-benzofuran-7-carboxylate Openeye Name: N,N-diethylethanamine; 2-nitro-3-phenyl-benzofuran-7-carboxylate CAS Name: N,N-diethylethanamine; 2-nitro-3-phenyl-7-benzofurancarboxylate IUPAC Name: N,N-diethylethanamine; 2-nitro-3-phenyl-1-benzofuran-7-carboxylate Traditional Name: 2-nitro-3-phenyl-benzofuran-7-carboxylate; triethylamine Formula: C21H23N2O5- MolecularWeight: 383.41772

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C15H9NO5.C6H15N/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/p-1