N,N-dimethylethanamine; 2-(2-nitro-3-phenyl-1-benzofuran-5-yl)ethanoate

Systemtic Name: N,N-dimethylethanamine; 2-(2-nitro-3-phenyl-1-benzofuran-5-yl)ethanoate Openeye Name: N,N-dimethylethanamine; 2-(2-nitro-3-phenyl-benzofuran-5-yl)acetate CAS Name: N,N-dimethylethanamine; 2-(2-nitro-3-phenyl-5-benzofuranyl)acetate IUPAC Name: N,N-dimethylethanamine; 2-(2-nitro-3-phenyl-1-benzofuran-5-yl)acetate Traditional Name: ethyl(dimethyl)amine; 2-(2-nitro-3-phenyl-benzofuran-5-yl)acetate Formula: C20H21N2O5- MolecularWeight: 369.39114

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)C.C1=CC=C(C=C1)C2=C(OC3=C2C=C(C=C3)CC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN(C)C.C1=CC=C(C=C1)C2=C(OC3=C2C=C(C=C3)CC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H11NO5.C4H11N/c18-14(19)9-10-6-7-13-12(8-10)15(16(22-13)17(20)21)11-4-2-1-3-5-11;1-4-5(2)3/h1-8H,9H2,(H,18,19);4H2,1-3H3/p-1