tert-butyl 2-cyano-5-[6-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-5-nitro-pyrimidin-4-yl]oxy-benzoate

Systemtic Name: tert-butyl 2-cyano-5-[6-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-5-nitro-pyrimidin-4-yl]oxy-benzoate Openeye Name: tert-butyl 2-cyano-5-[6-[(2-ethoxy-2-oxo-ethyl)amino]-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-5-nitro-pyrimidin-4-yl]oxy-benzoate CAS Name: 2-cyano-5-[[6-[(2-ethoxy-2-oxoethyl)amino]-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-5-nitro-4-pyrimidinyl]oxy]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-5-[6-[(2-ethoxy-2-oxoethyl)amino]-2-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-5-nitropyrimidin-4-yl]oxybenzoate Traditional Name: 2-cyano-5-[6-[(2-ethoxy-2-keto-ethyl)amino]-2-[3-(1-methyl-2-imidazolin-2-yl)phenoxy]-5-nitro-pyrimidin-4-yl]oxy-benzoic acid tert-butyl ester Formula: C30H31N7O8 MolecularWeight: 617.60924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC1=C(C(=NC(=N1)OC2=CC=CC(=C2)C3=NCCN3C)OC4=CC(=C(C=C4)C#N)C(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CNC1=C(C(=NC(=N1)OC2=CC=CC(=C2)C3=NCCN3C)OC4=CC(=C(C=C4)C#N)C(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C30H31N7O8/c1-6-42-23(38)17-33-25-24(37(40)41)27(43-21-11-10-19(16-31)22(15-21)28(39)45-30(2,3)4)35-29(34-25)44-20-9-7-8-18(14-20)26-32-12-13-36(26)5/h7-11,14-15H,6,12-13,17H2,1-5H3,(H,33,34,35)