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

Systemtic Name: 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 3-(2,4-dimethyl-3-pyrimido[1,2-b]indazolyl)-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 3-(2,4-dimethylpyrimid[1,2-b]indazol-3-yl)-N-(2-methoxy-5-nitro-phenyl)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)NC4=C(C=CC(=C4)[N+](=O)[O-])OC

Isomeric SMILES

CC1=C(C(=NC2=C3C=CC=CC3=NN12)C)CCC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C22H21N5O4/c1-13-16(14(2)26-22(23-13)17-6-4-5-7-18(17)25-26)9-11-21(28)24-19-12-15(27(29)30)8-10-20(19)31-3/h4-8,10,12H,9,11H2,1-3H3,(H,24,28)