[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-ethoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)benzoate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-ethoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)benzoate Openeye Name: [2-(4-methyl-2-nitro-anilino)-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 [2-(4-methyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxoethyl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate Traditional Name: 3-ethoxy-4-(2-keto-2-piperidino-ethoxy)benzoic acid [2-keto-2-(4-methyl-2-nitro-anilino)ethyl] ester Formula: C25H29N3O8 MolecularWeight: 499.51306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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