(4-aminocarbonyl-2-nitro-phenyl)methyl 2-benzo[e][1]benzofuran-1-ylethanoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 2-benzo[e][1]benzofuran-1-ylethanoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 2-benzo[e]benzofuran-1-ylacetate CAS Name: 2-(1-benzo[e]benzofuranyl)acetic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 2-benzo[e][1]benzofuran-1-ylacetate Traditional Name: 2-benzo[e]benzofuran-1-ylacetic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C22H16N2O6 MolecularWeight: 404.37224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C(=CO3)CC(=O)OCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=CO3)CC(=O)OCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H16N2O6/c23-22(26)14-5-6-15(18(9-14)24(27)28)11-30-20(25)10-16-12-29-19-8-7-13-3-1-2-4-17(13)21(16)19/h1-9,12H,10-11H2,(H2,23,26)