4-nitrooxybutyl 2-methyl-2-[[1-(phenylmethyl)indazol-3-yl]methoxy]propanoate

Systemtic Name: 4-nitrooxybutyl 2-methyl-2-[[1-(phenylmethyl)indazol-3-yl]methoxy]propanoate Openeye Name: 4-nitrooxybutyl 2-[(1-benzylindazol-3-yl)methoxy]-2-methyl-propanoate CAS Name: 2-methyl-2-[[1-(phenylmethyl)-3-indazolyl]methoxy]propanoic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl 2-[(1-benzylindazol-3-yl)methoxy]-2-methylpropanoate Traditional Name: 2-[(1-benzylindazol-3-yl)methoxy]-2-methyl-propionic acid 4-nitrooxybutyl ester Formula: C23H27N3O6 MolecularWeight: 441.47698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OCCCCO[N+](=O)[O-])OCC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C(=O)OCCCCO[N+](=O)[O-])OCC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O6/c1-23(2,22(27)30-14-8-9-15-32-26(28)29)31-17-20-19-12-6-7-13-21(19)25(24-20)16-18-10-4-3-5-11-18/h3-7,10-13H,8-9,14-17H2,1-2H3