2-methylpropyl 4-[[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(1-benzotriazolyl)-5-nitro-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[6-(benzotriazol-1-yl)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C21H19N7O4 MolecularWeight: 433.42006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H19N7O4/c1-13(2)11-32-21(29)14-7-9-15(10-8-14)24-19-18(28(30)31)20(23-12-22-19)27-17-6-4-3-5-16(17)25-26-27/h3-10,12-13H,11H2,1-2H3,(H,22,23,24)