[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-ethoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)benzoate

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-ethoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)benzoate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 3-ethoxy-4-[2-oxo-2-(1-piperidyl)ethoxy]benzoate CAS Name: 3-ethoxy-4-[2-oxo-2-(1-piperidinyl)ethoxy]benzoic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate Traditional Name: 3-ethoxy-4-(2-keto-2-piperidino-ethoxy)benzoic acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C25H29N3O8 MolecularWeight: 499.51306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])OCC(=O)N3CCCCC3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])OCC(=O)N3CCCCC3

InChI

InChI=1S/C25H29N3O8/c1-3-34-22-15-18(7-12-21(22)35-16-23(29)27-13-5-4-6-14-27)25(31)36-17(2)24(30)26-19-8-10-20(11-9-19)28(32)33/h7-12,15,17H,3-6,13-14,16H2,1-2H3,(H,26,30)