tert-butyl 2-[[6-[4-(benzotriazol-1-yl)piperidin-1-yl]-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate

Systemtic Name: tert-butyl 2-[[6-[4-(benzotriazol-1-yl)piperidin-1-yl]-5-nitro-pyrimidin-4-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-[[6-[4-(benzotriazol-1-yl)-1-piperidyl]-5-nitro-pyrimidin-4-yl]-methyl-amino]acetate CAS Name: 2-[[6-[4-(1-benzotriazolyl)-1-piperidinyl]-5-nitro-4-pyrimidinyl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[6-[4-(benzotriazol-1-yl)piperidin-1-yl]-5-nitropyrimidin-4-yl]-methylamino]acetate Traditional Name: 2-[[6-[4-(benzotriazol-1-yl)piperidino]-5-nitro-pyrimidin-4-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C22H28N8O4 MolecularWeight: 468.50892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H28N8O4/c1-22(2,3)34-18(31)13-27(4)20-19(30(32)33)21(24-14-23-20)28-11-9-15(10-12-28)29-17-8-6-5-7-16(17)25-26-29/h5-8,14-15H,9-13H2,1-4H3