3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]propanamide

Systemtic Name: 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]propanamide Openeye Name: 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[(2-hydroxy-5-nitro-phenyl)methyl]propanamide CAS Name: 3-(2,4-dimethyl-3-pyrimido[1,2-b]indazolyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]propanamide IUPAC Name: 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[(2-hydroxy-5-nitrophenyl)methyl]propanamide Traditional Name: 3-(2,4-dimethylpyrimid[1,2-b]indazol-3-yl)-N-(2-hydroxy-5-nitro-benzyl)propionamide Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=C3C=CC=CC3=NN12)C)CCC(=O)NCC4=C(C=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C(=NC2=C3C=CC=CC3=NN12)C)CCC(=O)NCC4=C(C=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C22H21N5O4/c1-13-17(14(2)26-22(24-13)18-5-3-4-6-19(18)25-26)8-10-21(29)23-12-15-11-16(27(30)31)7-9-20(15)28/h3-7,9,11,28H,8,10,12H2,1-2H3,(H,23,29)