[2-(azocan-1-yl)-2-oxidanylidene-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C19H26N2O7 MolecularWeight: 394.41894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)N2CCCCCCC2)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)N2CCCCCCC2)[N+](=O)[O-])OC

InChI

InChI=1S/C19H26N2O7/c1-3-27-17-11-14(15(21(24)25)12-16(17)26-2)19(23)28-13-18(22)20-9-7-5-4-6-8-10-20/h11-12H,3-10,13H2,1-2H3