tert-butyl N-(2-methyl-5-nitro-phenyl)-N-(4-pyridin-3-ylpyrimidin-2-yl)carbamate

Systemtic Name: tert-butyl N-(2-methyl-5-nitro-phenyl)-N-(4-pyridin-3-ylpyrimidin-2-yl)carbamate Openeye Name: tert-butyl N-(2-methyl-5-nitro-phenyl)-N-[4-(3-pyridyl)pyrimidin-2-yl]carbamate CAS Name: N-(2-methyl-5-nitrophenyl)-N-[4-(3-pyridinyl)-2-pyrimidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(2-methyl-5-nitrophenyl)-N-(4-pyridin-3-ylpyrimidin-2-yl)carbamate Traditional Name: N-(2-methyl-5-nitro-phenyl)-N-[4-(3-pyridyl)pyrimidin-2-yl]carbamic acid tert-butyl ester Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N(C2=NC=CC(=N2)C3=CN=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N(C2=NC=CC(=N2)C3=CN=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H21N5O4/c1-14-7-8-16(26(28)29)12-18(14)25(20(27)30-21(2,3)4)19-23-11-9-17(24-19)15-6-5-10-22-13-15/h5-13H,1-4H3