(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-methylammonium IUPAC Name: (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-methylazanium Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[2-keto-2-(2-methoxy-5-nitro-anilino)ethyl]-methyl-ammonium Formula: C22H26N5O4+ MolecularWeight: 424.47294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+](C)CC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+](C)CC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H25N5O4/c1-15-19(16(2)26(24-15)17-8-6-5-7-9-17)13-25(3)14-22(28)23-20-12-18(27(29)30)10-11-21(20)31-4/h5-12H,13-14H2,1-4H3,(H,23,28)/p+1