(4-nitrophenyl)methyl 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoate

Systemtic Name: (4-nitrophenyl)methyl 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoate Openeye Name: (4-nitrophenyl)methyl 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoate CAS Name: 3-(2,4-dimethyl-3-pyrimido[1,2-b]indazolyl)propanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoate Traditional Name: 3-(2,4-dimethylpyrimid[1,2-b]indazol-3-yl)propionic acid (4-nitrobenzyl) ester Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=C3C=CC=CC3=NN12)C)CCC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC2=C3C=CC=CC3=NN12)C)CCC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O4/c1-14-18(15(2)25-22(23-14)19-5-3-4-6-20(19)24-25)11-12-21(27)30-13-16-7-9-17(10-8-16)26(28)29/h3-10H,11-13H2,1-2H3