(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl) 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: (3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl) 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: (3-ethoxycarbonyl-2-phenyl-benzofuran-5-yl) 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid (3-ethoxycarbonyl-2-phenyl-5-benzofuranyl) ester IUPAC Name: (3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl) 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid (3-carbethoxy-2-phenyl-benzofuran-5-yl) ester Formula: C23H18N2O7 MolecularWeight: 434.39822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C3=CC(=CN3C)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C3=CC(=CN3C)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H18N2O7/c1-3-30-23(27)20-17-12-16(31-22(26)18-11-15(25(28)29)13-24(18)2)9-10-19(17)32-21(20)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3