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

Systemtic Name: N,N-dimethylpropan-1-amine; 2-nitro-3-phenyl-1-benzofuran-7-carboxylate Openeye Name: N,N-dimethylpropan-1-amine; 2-nitro-3-phenyl-benzofuran-7-carboxylate CAS Name: N,N-dimethyl-1-propanamine; 2-nitro-3-phenyl-7-benzofurancarboxylate IUPAC Name: N,N-dimethylpropan-1-amine; 2-nitro-3-phenyl-1-benzofuran-7-carboxylate Traditional Name: dimethyl(propyl)amine; 2-nitro-3-phenyl-benzofuran-7-carboxylate Formula: C20H21N2O5- MolecularWeight: 369.39114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H9NO5.C5H13N/c17-15(18)11-8-4-7-10-12(9-5-2-1-3-6-9)14(16(19)20)21-13(10)11;1-4-5-6(2)3/h1-8H,(H,17,18);4-5H2,1-3H3/p-1