ethyl 5-(3-nitro-4-piperidin-1-yl-phenyl)carbonyloxy-2-phenyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-(3-nitro-4-piperidin-1-yl-phenyl)carbonyloxy-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[3-nitro-4-(1-piperidyl)benzoyl]oxy-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethoxy]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-nitro-4-piperidin-1-ylbenzoyl)oxy-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-(3-nitro-4-piperidino-benzoyl)oxy-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C29H26N2O7 MolecularWeight: 514.52594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C29H26N2O7/c1-2-36-29(33)26-22-18-21(12-14-25(22)38-27(26)19-9-5-3-6-10-19)37-28(32)20-11-13-23(24(17-20)31(34)35)30-15-7-4-8-16-30/h3,5-6,9-14,17-18H,2,4,7-8,15-16H2,1H3