tert-butyl [5-cyano-2-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-3-nitro-pyrrol-1-yl] carbonate

Systemtic Name: tert-butyl [5-cyano-2-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-3-nitro-pyrrol-1-yl] carbonate Openeye Name: tert-butyl [5-cyano-2-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-3-nitro-pyrrol-1-yl] carbonate CAS Name: carbonic acid tert-butyl [5-cyano-2-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-3-nitro-1-pyrrolyl] ester IUPAC Name: tert-butyl [5-cyano-2-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-3-nitropyrrol-1-yl] carbonate Traditional Name: carbonic acid tert-butyl [5-cyano-2-(2-keto-4,4-dimethyl-1H-3,1-benzoxazin-6-yl)-3-nitro-pyrrol-1-yl] ester Formula: C20H20N4O7 MolecularWeight: 428.3954

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=C(C=C(N3OC(=O)OC(C)(C)C)C#N)[N+](=O)[O-])NC(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=C(C=C(N3OC(=O)OC(C)(C)C)C#N)[N+](=O)[O-])NC(=O)O1)C

InChI

InChI=1S/C20H20N4O7/c1-19(2,3)30-18(26)31-23-12(10-21)9-15(24(27)28)16(23)11-6-7-14-13(8-11)20(4,5)29-17(25)22-14/h6-9H,1-5H3,(H,22,25)