[4-(4-azanyl-3-nitro-phenyl)-1-(4-oxidanylidenebutyl)piperidin-4-yl] 4-azanyl-5-chloranyl-2,3-dihydro-1-benzofuran-7-carboxylate

Systemtic Name: [4-(4-azanyl-3-nitro-phenyl)-1-(4-oxidanylidenebutyl)piperidin-4-yl] 4-azanyl-5-chloranyl-2,3-dihydro-1-benzofuran-7-carboxylate Openeye Name: [4-(4-amino-3-nitro-phenyl)-1-(4-oxobutyl)-4-piperidyl] 4-amino-5-chloro-2,3-dihydrobenzofuran-7-carboxylate CAS Name: 4-amino-5-chloro-2,3-dihydrobenzofuran-7-carboxylic acid [4-(4-amino-3-nitrophenyl)-1-(4-oxobutyl)-4-piperidinyl] ester IUPAC Name: [4-(4-amino-3-nitrophenyl)-1-(4-oxobutyl)piperidin-4-yl] 4-amino-5-chloro-2,3-dihydro-1-benzofuran-7-carboxylate Traditional Name: 4-amino-5-chloro-coumaran-7-carboxylic acid [4-(4-amino-3-nitro-phenyl)-1-(4-ketobutyl)-4-piperidyl] ester Formula: C24H27ClN4O6 MolecularWeight: 502.94738

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C(=C(C=C2C(=O)OC3(CCN(CC3)CCCC=O)C4=CC(=C(C=C4)N)[N+](=O)[O-])Cl)N

Isomeric SMILES

C1COC2=C1C(=C(C=C2C(=O)OC3(CCN(CC3)CCCC=O)C4=CC(=C(C=C4)N)[N+](=O)[O-])Cl)N

InChI

InChI=1S/C24H27ClN4O6/c25-18-14-17(22-16(21(18)27)5-12-34-22)23(31)35-24(6-9-28(10-7-24)8-1-2-11-30)15-3-4-19(26)20(13-15)29(32)33/h3-4,11,13-14H,1-2,5-10,12,26-27H2