(2-oxidanylidene-2-piperidin-1-yl-ethyl) 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid (2-keto-2-piperidino-ethyl) ester Formula: C17H22N2O7 MolecularWeight: 366.36578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)N2CCCCC2)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)N2CCCCC2)[N+](=O)[O-])OC

InChI

InChI=1S/C17H22N2O7/c1-3-25-15-9-12(13(19(22)23)10-14(15)24-2)17(21)26-11-16(20)18-7-5-4-6-8-18/h9-10H,3-8,11H2,1-2H3