tert-butyl 2-[3-(cyclobutylamino)-6-(2-nitrophenyl)-2-oxidanylidene-pyrazin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[3-(cyclobutylamino)-6-(2-nitrophenyl)-2-oxidanylidene-pyrazin-1-yl]ethanoate Openeye Name: tert-butyl 2-[3-(cyclobutylamino)-6-(2-nitrophenyl)-2-oxo-pyrazin-1-yl]acetate CAS Name: 2-[3-(cyclobutylamino)-6-(2-nitrophenyl)-2-oxo-1-pyrazinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-(cyclobutylamino)-6-(2-nitrophenyl)-2-oxopyrazin-1-yl]acetate Traditional Name: 2-[3-(cyclobutylamino)-2-keto-6-(2-nitrophenyl)pyrazin-1-yl]acetic acid tert-butyl ester Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C(=CN=C(C1=O)NC2CCC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)CN1C(=CN=C(C1=O)NC2CCC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O5/c1-20(2,3)29-17(25)12-23-16(14-9-4-5-10-15(14)24(27)28)11-21-18(19(23)26)22-13-7-6-8-13/h4-5,9-11,13H,6-8,12H2,1-3H3,(H,21,22)