(2-nitrophenyl) 4-[1-(3-ethoxy-3-oxidanylidene-propanoyl)piperidin-4-yl]piperidine-1-carboxylate

Systemtic Name: (2-nitrophenyl) 4-[1-(3-ethoxy-3-oxidanylidene-propanoyl)piperidin-4-yl]piperidine-1-carboxylate Openeye Name: (2-nitrophenyl) 4-[1-(3-ethoxy-3-oxo-propanoyl)-4-piperidyl]piperidine-1-carboxylate CAS Name: 4-[1-(3-ethoxy-1,3-dioxopropyl)-4-piperidinyl]-1-piperidinecarboxylic acid (2-nitrophenyl) ester IUPAC Name: (2-nitrophenyl) 4-[1-(3-ethoxy-3-oxopropanoyl)piperidin-4-yl]piperidine-1-carboxylate Traditional Name: 4-[1-(3-ethoxy-3-keto-propanoyl)-4-piperidyl]piperidine-1-carboxylic acid (2-nitrophenyl) ester Formula: C22H29N3O7 MolecularWeight: 447.48156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)N1CCC(CC1)C2CCN(CC2)C(=O)OC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC(=O)N1CCC(CC1)C2CCN(CC2)C(=O)OC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H29N3O7/c1-2-31-21(27)15-20(26)23-11-7-16(8-12-23)17-9-13-24(14-10-17)22(28)32-19-6-4-3-5-18(19)25(29)30/h3-6,16-17H,2,7-15H2,1H3