[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-benzo[e][1]benzofuran-1-ylethanoate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-benzo[e][1]benzofuran-1-ylethanoate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 2-benzo[e]benzofuran-1-ylacetate CAS Name: 2-(1-benzo[e]benzofuranyl)acetic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate Traditional Name: 2-benzo[e]benzofuran-1-ylacetic acid [2-keto-2-(2-nitroanilino)ethyl] 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)OCC(=O)NC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=CO3)CC(=O)OCC(=O)NC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H16N2O6/c25-20(23-17-7-3-4-8-18(17)24(27)28)13-30-21(26)11-15-12-29-19-10-9-14-5-1-2-6-16(14)22(15)19/h1-10,12H,11,13H2,(H,23,25)