[1-ethyl-4-methyl-5-[(2-nitrophenyl)diazenyl]-6-oxidanylidene-3-(piperidin-1-ylmethyl)pyridin-2-yl] ethanoate

Systemtic Name: [1-ethyl-4-methyl-5-[(2-nitrophenyl)diazenyl]-6-oxidanylidene-3-(piperidin-1-ylmethyl)pyridin-2-yl] ethanoate Openeye Name: [1-ethyl-4-methyl-5-(2-nitrophenyl)azo-6-oxo-3-(1-piperidylmethyl)-2-pyridyl] acetate CAS Name: acetic acid [1-ethyl-4-methyl-5-(2-nitrophenyl)azo-6-oxo-3-(1-piperidinylmethyl)-2-pyridinyl] ester IUPAC Name: [1-ethyl-4-methyl-5-[(2-nitrophenyl)diazenyl]-6-oxo-3-(piperidin-1-ylmethyl)pyridin-2-yl] acetate Traditional Name: acetic acid [1-ethyl-6-keto-4-methyl-5-(2-nitrophenyl)azo-3-(piperidinomethyl)-2-pyridyl] ester Formula: C22H27N5O5 MolecularWeight: 441.48028

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=C(C1=O)N=NC2=CC=CC=C2[N+](=O)[O-])C)CN3CCCCC3)OC(=O)C

Isomeric SMILES

CCN1C(=C(C(=C(C1=O)N=NC2=CC=CC=C2[N+](=O)[O-])C)CN3CCCCC3)OC(=O)C

InChI

InChI=1S/C22H27N5O5/c1-4-26-21(29)20(24-23-18-10-6-7-11-19(18)27(30)31)15(2)17(22(26)32-16(3)28)14-25-12-8-5-9-13-25/h6-7,10-11H,4-5,8-9,12-14H2,1-3H3